Chem
J-GLOBAL ID：200907000461573576   Nikkaji number：J1.842.455J

Diphosphoric acid α-(5′-guanosyl)β-[[(3S)-3α-methoxy-4β,5β,6α-trihydroxy-1-cyclohexene-1-yl]methyl] ester

二りん酸α-(5′-グアノシル)β-[[(3S)-3α-メトキシ-4β,5β,6α-トリヒドロキシ-1-シクロヘキセン-1-イル]メチル]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H27N5O15P2
Molecular formula furigana： C18-H27-N5-O15-P2
Molecular weight： 615.382
InChI： InChI=1S/C18H27N5O15P2/c1-34-7-2-6(10(24)13(27)11(7)25)3-35-39(30,31)38-40(32,33)36-4-8-12(26)14(28)17(37-8)23-5-20-9-15(23)21-18(19)22-16(9)29/h2,5,7-8,10-14,17,24-28H,3-4H2,1H3,(H,30,31)(H,32,33)(H3,19,21,22,29)/t7-,8+,10+,11+,12+,13-,14+,17+/m0/s1
InChI key： BFEOLUVUPQDDBD-PBSJDDPZSA-N
SMILES： CO[C@H]1C=C(COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 二りん酸α-(5′-グアノシル)β-[[(3S)-3α-メトキシ-4β,5β,6α-トリヒドロキシ-1-シクロヘキセン-1-イル]メチル]
  • {[(2R,3S,4R,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}({[ヒドロキシ({[(3S,4S,5S,6R)-4,5,6-トリヒドロキシ-3-メトキシシクロヘキサ-1-エン-1-イル]メトキシ})ホスホリル]オキシ})ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(3S,4S,5S,6R)-4,5,6-trihydroxy-3-methoxycyclohex-1-en-1-yl]methoxy})phosphoryl]oxy})phosphinic acid
Other name (1)：
  • Diphosphoric acid α-(5′-guanosyl)β-[[(3S)-3α-methoxy-4β,5β,6α-trihydroxy-1-cyclohexene-1-yl]methyl] ester
Thsaurus map：
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