tert-butyl (2S,3S)-3-[[(3aR,4S,6R,6aR)-2,2-diethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-3-[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-aminopropanoate | 935560-23-9

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

——

中文别名

——

英文名称

tert-butyl (2S,3S)-3-[[(3aR,4S,6R,6aR)-2,2-diethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-3-[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-aminopropanoate

英文别名

——

tert-butyl (2S,3S)-3-[[(3aR,4S,6R,6aR)-2,2-diethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-3-[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-aminopropanoate化学式

CAS

935560-23-9

化学式

C₃₃H₅₂N₄O₁₃

mdl

——

分子量

712.795

InChiKey

KLYITKITQIAKRR-IPKXHVDJSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1.2
重原子数：

50
可旋转键数：

14
环数：

5.0
sp3杂化的碳原子比例：

0.82
拓扑面积：

205
氢给体数：

3
氢受体数：

14

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	tert-butyl (2S,3S)-3-[[(3aR,4S,6R,6aR)-2,2-diethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-3-[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(2,2,2-trichloroethoxycarbonylamino)propanoate	935560-22-8	C₃₆H₅₃Cl₃N₄O₁₅	888.194
——	tert-butyl 6-benzyloxycarbonylamino-5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribo-pentofuranosyl]-6-deoxy-2,3-O-isopropylidene-1-(uracil-1-yl)-β-D-glycelo-L-talo-heptofuranuronate	1211774-34-3	C₄₁H₅₈N₄O₁₅	846.929
——	tert-butyl (2S,3S)-3-[[(3aR,4S,6R,6aR)-2,2-diethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-3-[(3aR,4R,6R,6aR)-4-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(phenylmethoxycarbonylamino)propanoate	935560-20-6	C₄₉H₆₆N₄O₁₆	967.08
——	tert-butyl (2S,3S)-3-[[(3aR,4S,6R,6aR)-2,2-diethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-3-[(3aR,4R,6R,6aR)-4-[2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(2,2,2-trichloroethoxycarbonylamino)propanoate	935560-21-7	C₄₄H₆₁Cl₃N₄O₁₆	1008.34
——	methyl 5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribofuranosyl]-6-benzyloxycarbonylamino-1-(3-benzyloxymethyluracil-1-yl)-6-deoxy-2,3-O-isopropylidene-β-D-glycero-L-talo-heptofuranuronate	852068-18-9	C₄₆H₆₀N₄O₁₆	925.0
——	methyl 5-O-[5-azido-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribofuranosyl]-6-{[(benzyloxy)carbonyl]amino}-1-{3-[(benzyloxy)methyl]uracil-1-yl}-6-deoxy-2,3-O-isopropylidene-β-D-glycero-L-talo-heptofuranuronate	852068-17-8	C₄₁H₅₀N₆O₁₄	850.88
——	methyl 6-{[(benzyloxy)carbonyl]amino}-1-{3-[(benzyloxy)methyl]uracil-1-yl}-6-deoxy-2,3-O-isopropylidene-β-D-glycero-L-talo-heptofuranuronate	852068-15-6	C₃₁H₃₅N₃O₁₁	625.632

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	tert-butyl 5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribofuranosyl]-6-deoxy-6-dodecylamino-2,3-O-isopropylidene-1-(uracil-1-yl)-β-D-glycero-L-talo-heptofuranuronate	1234357-40-4	C₄₅H₇₆N₄O₁₃	881.117
——	tert-butyl 6-deoxy-5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribo-pentofuranosyl]-6-N-(3-tert-butoxycarbonylaminopropyl)amino-1-(uracil-1-yl)-2,3-O-isopropylidene-β-D-glycelo-L-talo-heptofuranuronate	935560-24-0	C₄₁H₆₇N₅O₁₅	870.007
——	tert-butyl 5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribofuranosyl]-6-deoxy-6-dodecanoylamino-2,3-O-isopropylidene-1-(uracil-1-yl)-β-D-glycero-L-talo-heptofuranuronate	1223563-59-4	C₄₅H₇₄N₄O₁₄	895.101
——	tert-butyl 5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribo-pentofuranosyl]-6-N-[3-(2,2,2-trichloroethoxycarbonylamino)propyl]amino-6-deoxy-2,3-O-isopropylidene-1-(uracil-1-yl)-β-D-glycelo-L-talo-heptofuranuronate	1211774-35-4	C₃₉H₆₀Cl₃N₅O₁₅	945.289
——	tert-butyl (2S,3S)-3-[[(3aR,4S,6R,6aR)-2,2-diethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-3-[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate	935560-25-1	C₄₂H₆₉N₅O₁₅	884.034
——	tert-butyl 5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribofuranosyl]-6-deoxy-6-dodecylureido-2,3-O-isopropylidene-1-(uracil-1-yl)-β-D-glycero-L-talo-heptofuranuronate	1223563-64-1	C₄₆H₇₇N₅O₁₄	924.142
——	tert-butyl (2S,3S)-3-[[(3aR,4S,6R,6aR)-2,2-diethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-3-[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[3-[[(2S)-2-(phenylmethoxycarbonylamino)heptadecanoyl]amino]propylamino]propanoate	1350817-22-9	C₆₁H₉₈N₆O₁₆	1171.48
——	tert-butyl 5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribofuranosyl]-6-deoxy-2,3-O-isopropylidene-6-(4-octylbenzoylamino)-1-(uracil-1-yl)-β-D-glycero-L-talo-heptofuranuronate	1223563-61-8	C₄₈H₇₂N₄O₁₄	929.118
——	tert-butyl 5-O-[5-tert-butoxycarbonylamino-5-deoxy-2,3-O-(3-pentylidene)-β-D-ribofuranosyl]-6-deoxy-2,3-O-isopropylidene-6-(4-octylphenylureido)-1-(uracil-1-yl)-β-D-glycero-L-talo-heptofuranuronate	1223563-65-2	C₄₈H₇₃N₅O₁₄	944.133
——	(2S,3S)-3-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-[3-[[(2S)-2-[[(2S)-2-amino-5-methylsulfanylpentanoyl]amino]heptadecanoyl]amino]propylamino]-3-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propanoic acid	1350817-25-2	C₄₂H₇₅N₇O₁₃S	918.163