3-[4,5-diethyl-24-[3-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxypropyl]-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26,27-pentazapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1,3(27),4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propyl [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate;gadolinium(3+)

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 核糖核苷3'-磷酸盐

中文名称

——

中文别名

——

英文名称

3-[4,5-diethyl-24-[3-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxypropyl]-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26,27-pentazapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1,3(27),4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propyl [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate;gadolinium(3+)

英文别名

——

3-[4,5-diethyl-24-[3-[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxypropyl]-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26,27-pentazapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1,3(27),4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propyl [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate;gadolinium(3+)化学式

CAS

——

化学式

C66H87F2GdN9O24P2+3

mdl

——

分子量

1647.6

InChiKey

VSTBLHJVYVPFGM-BQYDLFMVSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.08
重原子数：

104
可旋转键数：

40
环数：

9.0
sp3杂化的碳原子比例：

0.55
拓扑面积：

405
氢给体数：

7
氢受体数：

31

同类化合物

腺苷-3’-磷酸胸苷酰-(3'-5')-胸苷氰基乙基磷酰三酯胸腺嘧啶脱氧核苷3-单磷酸铵盐水合物胞啶-3'-单磷酸二钠盐环(腺苷酰(3'-5')尿苷单磷酸酯) 尿苷酸尿苷溴乙酰甲醇5'-二磷酸酯尿苷氯乙酰甲醇5'-二磷酸酯 [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-2-(羟基甲基)四氢呋喃-3-基]苯基磷酸氢酯 N-苯甲酰基-2'-脱氧-3'-胞苷酸2-氯苯基2-氰基乙基酯 8-[(E)-苄亚基氨基]-2'-脱氧腺苷3'-(磷酸二氢酯) 5-甲基-2'-脱氧胞苷-3'-磷酸 3'-(二氢磷酸)鸟嘌呤核苷 3'-(1-丁基磷酰)腺苷 2ˊ-脱氧胞苷-3ˊ-一磷酸 2-脱氧腺苷-3-单磷酸酯*铵 2'-脱氧鸟苷 3'-(磷酸二氢酯) 2'-脱氧腺苷酰-(3'-5')-2'-脱氧腺苷酰-(3'-5)-2'-脱氧腺苷 2'-脱氧-3'-胞苷酸二钠盐 2' -脱氧3' -磷酸游离酸 uridine 3'-(2,2,2-trichloroethyl)phosphate triethylammonium salt 5'-O-pivaloyl-2'-O-(tetrahydropyran-2-yl)uridin-3'-yl 2,2-difluoroethyl isopropyl phosphate 3'-O-(di-tert-butoxyphosphoryl)-6-N-benzoyladenosine 2',5'-di-O-tert-butyldimethylsilyluridine 3'-(2,2,2-trichloroethyl)phosphate α-L-threofuranosyl adenine-3′-monophosphate α-L-threofuranosyl thymine-3′-monophosphate N²-2-nitrobenzen-1-yl-2'-deoxyguanosine-3'-phosphate thymidine 3'-monophosphate 3'-(5'-deoxy-5-fluoro)uridylic acid mono[(2R)-2,3-dihydroxypropyl] ester guanosyl-(3',3')-uridine thymidine 3'-hexadecylphosphate Thymidine 3'-(1,2-dimyristoyl-sn-glycero-3-phosphate) Diethyl 5'-O-(tert-butyldimethylsilyl)-N⁶,N⁶-diethyl-2'-deoxyadenosine 3'-phosphate 9-β-D-Arabinofuranosylhypoxanthine-3'-phosphate 3'-Cytidylic acid, N-benzoyl-2'-deoxy-5'-O-(9-phenyl-9H-xanthen-9-yl)-, mono(2-chlorophenyl) ester Niacinamide adenylate 2'-deoxyadenosine-3'-triphosphate dCpdU 1-(O³-phosphono-β-D-arabinofuranosyl)-1H-pyrimidine-2,4-dione 2',5'-Di(tert-butyldimethylsilyl)-3'-(ethyl 4-(hydroxymethyl)phenyl phosphate)uridine 2',5'-Di(tert-butyldimethylsilyl)-3'-(ethyl 4-formylphenyl phosphate)uridine 2',5'-Di(tert-butyldimethylsilyl)-3'-(ethyl vinyl phosphate)uridine 2',5'-Di(tert-butyldimethylsilyl)-3'-(ethyl 4-(fluoromethyl)phenyl phosphate)uridine Phosphoric acid (2R,3R,4R,5R)-4-(tert-butyl-dimethyl-silanyloxy)-2-(tert-butyl-dimethyl-silanyloxymethyl)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 1,2-dibromo-ethyl ester ethyl ester N(6)-(benzoyl)-2'-O-(tert-butyldimethylsilyl)adenosine 3'-(allyl 2-cyanoethyl phosphate) N⁶-benzoyl-3'-O-[bis(benzyloxy)phosphoryl]-2'-O-(4-methoxybenzyl)adenosine 2'-deoxyguanosine 3'-monophosphate ammonium salt Phosphoric acid dibenzyl ester (2R,3S,5R)-2-hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3-yl ester N⁶-methyl-2'-deoxyadenosine-3'-phosphate [(2R,3S,5R)-3-[(2,2-dicyano-3-hydroxypropoxy)-(2-methoxyethoxy)phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2,2-dimethylpropanoate

分子结构分类

计算性质

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