Cas no 128007-95-4 (Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester)
128007-95-4 structure
Product Name:Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester
CAS No:128007-95-4
MF:C20H24N10O13P2S2
MW:738.541281700134
CID:150340
PubChem ID:135764854
Update Time:2025-04-19
Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester Chemical and Physical Properties
Names and Identifiers
-
- Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester
- [[4-(2-amino-4-oxo-5,8-dihydro-1H-pteridin-6-yl)-2-hydroxy-3,4-bis(sulfanylidene)butoxy]-hydroxyphosphoryl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]es
- molybdopterin guanine dinucleotide
- 2-amino-9-{5-O-[({[4-(2-amino-4-oxo-1,4,5,8-tetrahydropteridin-6-yl)-2-hydroxy-3,4-dithioxobutoxy](hydro
- 5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
- Guanosine 5'-(trihydrogen diphosphate), p'-(4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-butenyl) ester
- 128007-95-4
- 9-{5-O-[Hydroxy({hydroxy[2-hydroxy-4-(4-hydroxy-2-imino-1,2,5,8-tetrahydropteridin-6-yl)-3,4-bis(sulfanylidene)butoxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}-2-imino-3,9-dihydro-2H-purin-6-ol
- DTXSID40926053
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- Inchi: 1S/C20H24N10O13P2S2/c21-19-26-14-8(16(34)28-19)25-5(1-23-14)12(46)13(47)6(31)2-40-44(36,37)43-45(38,39)41-3-7-10(32)11(33)18(42-7)30-4-24-9-15(30)27-20(22)29-17(9)35/h1,4,6-7,10-11,18,31-33,46-47H,2-3H2,(H,36,37)(H,38,39)(H3,22,27,29,35)(H3,21,23,26,28,34)/b13-12+
- InChI Key: BQRWHFIYTDHAGA-OUKQBFOZSA-N
- SMILES: S/C(=C(\C1C=NC2=C(C(NC(N)=N2)=O)N=1)/S)/C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O)O
Computed Properties
- Exact Mass: 738.04442
- Monoisotopic Mass: 738.04409720g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 47
- Rotatable Bond Count: 12
- Complexity: 1610
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 1001
- XLogP3: -5.9
- Topological Polar Surface Area: 353?2
Experimental Properties
- PSA: 349.05
Guanosine5'-(trihydrogen diphosphate),P'-[4-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2-hydroxy-3,4-dimercapto-3-buten-1-yl]ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside diphosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside diphosphates
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