Chem
J-GLOBAL ID:200907030780380779
Nikkaji number:J2.738.194D
(2R,3R,4S)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purine-9-yl)oxetane-3,4-bis(methanol)4-triphosphate
(2R,3R,4S)-2-(2-アミノ-6-オキソ-1,6-ジヒドロ-9H-プリン-9-イル)オキセタン-3,4-ビス(メタノール)4-トリホスファート
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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:
C10 H16 N5 O13 P3
Molecular formula furigana:
C10-H16-N5-O13-P3
Molecular weight:
507.181
InChI:
InChI=1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-4(1-16)5(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5-,9-/m1/s1
InChI key:
ZTQGKUZQXQHVIV-UDJQAZALSA-N
SMILES:
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1CO
Systematic name (3):
(2R,3R,4S)-2-(2-アミノ-6-オキソ-1,6-ジヒドロ-9H-プリン-9-イル)オキセタン-3,4-ビス(メタノール)4-トリホスファート
({[({[(2S,3R,4R)-4-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-3-(ヒドロキシメチル)オキセタン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
({[({[(2S,3R,4R)-4-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1):
(2R,3R,4S)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purine-9-yl)oxetane-3,4-bis(methanol)4-triphosphate
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