V2G

2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid

Created:	2020-06-19
Last modified:	2020-12-02

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1 entries where V2G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	4
Bond Count	46
Aromatic Bond Count	10

2D diagram of V2G

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Chemical Component Summary
Name	2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid
Formula	C₁₂ H₁₇ N₆ O₈ P
Molecular Weight	404.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(CC(O)=O)P(O)(=O)OCC1OC(C(C1O)O)n2cnc3c2ncnc3N
SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)NCC(O)=O)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	2.0.7	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NCC(=O)O)O)O)O)N
Canonical SMILES	CACTVS	3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)NCC(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N
InChI	InChI	1.03	InChI=1S/C12H17N6O8P/c13-10-7-11(15-3-14-10)18(4-16-7)12-9(22)8(21)5(26-12)2-25-27(23,24)17-1-6(19)20/h3-5,8-9,12,21-22H,1-2H2,(H,19,20)(H2,13,14,15)(H2,17,23,24)/t5-,8-,9-,12-/m1/s1
InChIKey	InChI	1.03	OFENVOUOJQRLCP-JJNLEZRASA-N

Related Resource References

Resource Name	Reference
PubChem	101046655

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