[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate

C134H148N20O56P8 — CID 57341037

IUPAC[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate
SMILESCc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)Oc3ccc(-c4ccc(C56CC7(c8ccc(-c9ccc(OP(=O)(O)O[C@H]%10C[C@H](n%11ccc(N)nc%11=O)O[C@@H]%10COP(=O)(O)O[C@H]%10C[C@H](n%11cc(C)c(=O)[nH]c%11=O)O[C@@H]%10CO)cc9)cc8)CC(c8ccc(-c9ccc(OP(=O)(O)O[C@H]%10C[C@H](n%11ccc(N)nc%11=O)O[C@@H]%10COP(=O)(O)O[C@H]%10C[C@H](n%11cc(C)c(=O)[nH]c%11=O)O[C@@H]%10CO)cc9)cc8)(C5)CC(c5ccc(-c8ccc(OP(=O)(O)O[C@H]9C[C@H](n%10ccc(N)nc%10=O)O[C@@H]9COP(=O)(O)O[C@H]9C[C@H](n%10cc(C)c(=O)[nH]c%10=O)O[C@@H]9CO)cc8)cc5)(C6)C7)cc4)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C134H148N20O56P8/c1-71-53-151(127(167)143-119(71)159)115-45-91(99(57-155)191-115)203-211(171,172)187-61-103-95(49-111(195-103)147-41-37-107(135)139-123(147)163)207-215(179,180)199-87-29-13-79(14-30-87)75-5-21-83(22-6-75)131-65-132(84-23-7-76(8-24-84)80-15-31-88(32-16-80)200-216(181,182)208-96-50-112(148-42-38-108(136)140-124(148)164)196-104(96)62-188-212(173,174)204-92-46-116(192-100(92)58-156)152-54-72(2)120(160)144-128(152)168)68-133(66-131,85-25-9-77(10-26-85)81-17-33-89(34-18-81)201-217(183,184)209-97-51-113(149-43-39-109(137)141-125(149)165)197-105(97)63-189-213(175,176)205-93-47-117(193-101(93)59-157)153-55-73(3)121(161)145-129(153)169)70-134(67-131,69-132)86-27-11-78(12-28-86)82-19-35-90(36-20-82)202-218(185,186)210-98-52-114(150-44-40-110(138)142-126(150)166)198-106(98)64-190-214(177,178)206-94-48-118(194-102(94)60-158)154-56-74(4)122(162)146-130(154)170/h5-44,53-56,91-106,111-118,155-158H,45-52,57-70H2,1-4H3,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H2,135,139,163)(H2,136,140,164)(H2,137,141,165)(H2,138,142,166)(H,143,159,167)(H,144,160,168)(H,145,161,169)(H,146,162,170)/t91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102+,103+,104+,105+,106+,111+,112+,113+,114+,115+,116+,117+,118+,131?,132?,133?,134?/m0/s1
InChIKeyZOUBIGXOVZMKDI-YIQWHIEESA-N
MW3182.53 g/mol
LogP9.31
Rot. Bonds56

About [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate (PubChem CID 57341037) has the molecular formula C134H148N20O56P8 and a molecular weight of 3182.53 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate
PubChem CID57341037
Molecular FormulaC134H148N20O56P8
Molecular Weight3182.53 g/mol
Exact Mass3180.72
IUPAC Name[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate
SMILESCc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)Oc3ccc(-c4ccc(C56CC7(c8ccc(-c9ccc(OP(=O)(O)O[C@H]%10C[C@H](n%11ccc(N)nc%11=O)O[C@@H]%10COP(=O)(O)O[C@H]%10C[C@H](n%11cc(C)c(=O)[nH]c%11=O)O[C@@H]%10CO)cc9)cc8)CC(c8ccc(-c9ccc(OP(=O)(O)O[C@H]%10C[C@H](n%11ccc(N)nc%11=O)O[C@@H]%10COP(=O)(O)O[C@H]%10C[C@H](n%11cc(C)c(=O)[nH]c%11=O)O[C@@H]%10CO)cc9)cc8)(C5)CC(c5ccc(-c8ccc(OP(=O)(O)O[C@H]9C[C@H](n%10ccc(N)nc%10=O)O[C@@H]9COP(=O)(O)O[C@H]9C[C@H](n%10cc(C)c(=O)[nH]c%10=O)O[C@@H]9CO)cc8)cc5)(C6)C7)cc4)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C134H148N20O56P8/c1-71-53-151(127(167)143-119(71)159)115-45-91(99(57-155)191-115)203-211(171,172)187-61-103-95(49-111(195-103)147-41-37-107(135)139-123(147)163)207-215(179,180)199-87-29-13-79(14-30-87)75-5-21-83(22-6-75)131-65-132(84-23-7-76(8-24-84)80-15-31-88(32-16-80)200-216(181,182)208-96-50-112(148-42-38-108(136)140-124(148)164)196-104(96)62-188-212(173,174)204-92-46-116(192-100(92)58-156)152-54-72(2)120(160)144-128(152)168)68-133(66-131,85-25-9-77(10-26-85)81-17-33-89(34-18-81)201-217(183,184)209-97-51-113(149-43-39-109(137)141-125(149)165)197-105(97)63-189-213(175,176)205-93-47-117(193-101(93)59-157)153-55-73(3)121(161)145-129(153)169)70-134(67-131,69-132)86-27-11-78(12-28-86)82-19-35-90(36-20-82)202-218(185,186)210-98-52-114(150-44-40-110(138)142-126(150)166)198-106(98)64-190-214(177,178)206-94-48-118(194-102(94)60-158)154-56-74(4)122(162)146-130(154)170/h5-44,53-56,91-106,111-118,155-158H,45-52,57-70H2,1-4H3,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H2,135,139,163)(H2,136,140,164)(H2,137,141,165)(H2,138,142,166)(H,143,159,167)(H,144,160,168)(H,145,161,169)(H,146,162,170)/t91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102+,103+,104+,105+,106+,111+,112+,113+,114+,115+,116+,117+,118+,131?,132?,133?,134?/m0/s1
InChIKeyZOUBIGXOVZMKDI-YIQWHIEESA-N
XLogP9.31
TPSA1063.92 Ų
H-Bond Donors20
H-Bond Acceptors64
Rotatable Bonds56
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003182.53
LogP ≤ 59.31
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1064

Analyze [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
CID 4523982
[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
CID 16741133
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
CID 101242375
1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 146033355
1-[(2R,5R)-5-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59011161
1-[(2R,5R)-5-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-4-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 89060176
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 136756624
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-((32P)phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
CID 10771047
[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
CID 11073309
[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
CID 117064858
[(2R,3S,4S,5S)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
CID 11182195
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(3-piperazin-1-ylpropylsulfanyl)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
CID 70694779

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate?
The IUPAC name of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate (CID 57341037) is [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate.
What is the SMILES notation for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate?
The canonical SMILES for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate is Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)(O)Oc3ccc(-c4ccc(C56CC7(c8ccc(-c9ccc(OP(=O)(O)O[C@H]%10C[C@H](n%11ccc(N)nc%11=O)O[C@@H]%10COP(=O)(O)O[C@H]%10C[C@H](n%11cc(C)c(=O)[nH]c%11=O)O[C@@H]%10CO)cc9)cc8)CC(c8ccc(-c9ccc(OP(=O)(O)O[C@H]%10C[C@H](n%11ccc(N)nc%11=O)O[C@@H]%10COP(=O)(O)O[C@H]%10C[C@H](n%11cc(C)c(=O)[nH]c%11=O)O[C@@H]%10CO)cc9)cc8)(C5)CC(c5ccc(-c8ccc(OP(=O)(O)O[C@H]9C[C@H](n%10ccc(N)nc%10=O)O[C@@H]9COP(=O)(O)O[C@H]9C[C@H](n%10cc(C)c(=O)[nH]c%10=O)O[C@@H]9CO)cc8)cc5)(C6)C7)cc4)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate?
The InChIKey is ZOUBIGXOVZMKDI-YIQWHIEESA-N. The full InChI is InChI=1S/C134H148N20O56P8/c1-71-53-151(127(167)143-119(71)159)115-45-91(99(57-155)191-115)203-211(171,172)187-61-103-95(49-111(195-103)147-41-37-107(135)139-123(147)163)207-215(179,180)199-87-29-13-79(14-30-87)75-5-21-83(22-6-75)131-65-132(84-23-7-76(8-24-84)80-15-31-88(32-16-80)200-216(181,182)208-96-50-112(148-42-38-108(136)140-124(148)164)196-104(96)62-188-212(173,174)204-92-46-116(192-100(92)58-156)152-54-72(2)120(160)144-128(152)168)68-133(66-131,85-25-9-77(10-26-85)81-17-33-89(34-18-81)201-217(183,184)209-97-51-113(149-43-39-109(137)141-125(149)165)197-105(97)63-189-213(175,176)205-93-47-117(193-101(93)59-157)153-55-73(3)121(161)145-129(153)169)70-134(67-131,69-132)86-27-11-78(12-28-86)82-19-35-90(36-20-82)202-218(185,186)210-98-52-114(150-44-40-110(138)142-126(150)166)198-106(98)64-190-214(177,178)206-94-48-118(194-102(94)60-158)154-56-74(4)122(162)146-130(154)170/h5-44,53-56,91-106,111-118,155-158H,45-52,57-70H2,1-4H3,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H2,135,139,163)(H2,136,140,164)(H2,137,141,165)(H2,138,142,166)(H,143,159,167)(H,144,160,168)(H,145,161,169)(H,146,162,170)/t91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102+,103+,104+,105+,106+,111+,112+,113+,114+,115+,116+,117+,118+,131?,132?,133?,134?/m0/s1.
What are the key properties of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate?
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate has a molecular weight of 3182.53 g/mol, XLogP of 9.31, 56 rotatable bonds, 20 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] [4-[4-[3,5,7-tris[4-[4-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxyphenyl]phenyl]-1-adamantyl]phenyl]phenyl] hydrogen phosphate is sourced from PubChem (CID 57341037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).