2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-[6-[[[[9-[(2R)-5-hydroxy-2,11-dimethyl-5-oxido-9-oxo-3,6,8,10-tetraoxa-5-phosphadodec-1-yl]-9H-purin-6-yl]amino]methyl]amino]-9H-purin-9-yl]-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide

CAS Registry Number®

1093279-77-6

CAS Name

2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-[6-[[[[9-[(2R)-5-hydroxy-2,11-dimethyl-5-oxido-9-oxo-3,6,8,10-tetraoxa-5-phosphadodec-1-yl]-9H-purin-6-yl]amino]methyl]amino]-9H-purin-9-yl]-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide

Molecular Formula

C34H52N10O17P2

Molecular Mass

934.78

Cite this Page

2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-[6-[[[[9-[(2R)-5-hydroxy-2,11-dimethyl-5-oxido-9-oxo-3,6,8,10-tetraoxa-5-phosphadodec-1-yl]-9H-purin-6-yl]amino]methyl]amino]-9H-purin-9-yl]-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1093279-77-6 (retrieved 2024-11-25) (CAS RN: 1093279-77-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H52N10O17P2/c1-21(2)59-32(45)51-16-56-62(48,49)19-54-24(7)9-43-14-41-26-28(37-12-39-30(26)43)35-11-36-29-27-31(40-13-38-29)44(15-42-27)10-25(8)55-20-63(50,57-17-52-33(46)60-22(3)4)58-18-53-34(47)61-23(5)6/h12-15,21-25H,9-11,16-20H2,1-8H3,(H,48,49)(H,35,37,39)(H,36,38,40)/t24-,25-/m1/s1

InChIKey

InChIKey=IGSVXJKHRBUXSS-JWQCQUIFSA-N

SMILES

N(CNC1=C2C(N(C[C@H](OCP(OCOC(OC(C)C)=O)(=O)O)C)C=N2)=NC=N1)C3=C4C(N(C[C@H](OCP(OCOC(OC(C)C)=O)(OCOC(OC(C)C)=O)=O)C)C=N4)=NC=N3

Canonical SMILES

O=C(OCOP(=O)(O)COC(C)CN1C=NC=2C(=NC=NC21)NCNC3=NC=NC4=C3N=CN4CC(OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)C)OC(C)C

Other Names for this Substance

  • 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-[6-[[[[9-[(2R)-5-hydroxy-2,11-dimethyl-5-oxido-9-oxo-3,6,8,10-tetraoxa-5-phosphadodec-1-yl]-9H-purin-6-yl]amino]methyl]amino]-9H-purin-9-yl]-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide

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