Chem
J-GLOBAL ID:200907054459275250
Nikkaji number:J1.957.733C
(4R,4aα,11S,12R)-2-Imino-4α,11-oxy-12-(hydroxymethyl)-5α,9α:7β,10aβ-dimethanooctahydro-10aH-[1,3]dioxocino[6,5-d]pyrimidine-7α,10β,12-triol
(4R,4aα,11S,12R)-2-イミノ-4α,11-オキシ-12-(ヒドロキシメチル)-5α,9α:7β,10aβ-ジメタノオクタヒドロ-10aH-[1,3]ジオキソシノ[6,5-d]ピリミジン-7α,10β,12-トリオール
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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:
C11 H15 N3 O7
Molecular formula furigana:
C11-H15-N3-O7
Molecular weight:
301.255
InChI:
InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9-,10-,11?/m1/s1
InChI key:
STNXQECXKDMLJK-FAEUWRDWSA-N
SMILES:
OC[C@@]1(O)[C@@H]2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)N[C@H](O[C@H]31)[C@@H]24
Systematic name (3):
(4R,4aα,11S,12R)-2-イミノ-4α,11-オキシ-12-(ヒドロキシメチル)-5α,9α:7β,10aβ-ジメタノオクタヒドロ-10aH-[1,3]ジオキソシノ[6,5-d]ピリミジン-7α,10β,12-トリオール
(1R,2R,3S,4S,5R,9R,11S,12S,14R)-2-(ヒドロキシメチル)-7-イミノ-10,13,15-トリオキサ-6,8-ジアザペンタシクロ[7.4.1.13,12 .05,11 .05,14 ]ペンタデカン-2,4,12-トリオール
(1R,2R,3S,4S,5R,9R,11S,12S,14R)-2-(hydroxymethyl)-7-imino-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12 .05,11 .05,14 ]pentadecane-2,4,12-triol
Other name (1):
(4R,4aα,11S,12R)-2-Imino-4α,11-oxy-12-(hydroxymethyl)-5α,9α:7β,10aβ-dimethanooctahydro-10aH-[1,3]dioxocino[6,5-d]pyrimidine-7α,10β,12-triol
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