Chem
J-GLOBAL ID:200907050976000673   Nikkaji number:J1.343.780G

1-[2-[(Allyloxycarbonyl)amino]-6-(allyloxy)-9H-purine-9-yl]-3-O-[diphenyl(4-methoxyphenyl)methyl]-5-O-[(allyloxy)(diisopropylamino)phosphino]-1,2-dideoxy-β-D-ribofuranose

1-[2-[(アリルオキシカルボニル)アミノ]-6-(アリルオキシ)-9H-プリン-9-イル]-3-O-[ジフェニル(4-メトキシフェニル)メチル]-5-O-[(アリルオキシ)(ジイソプロピルアミノ)ホスフィノ]-1,2-ジデオキシ-β-D-リボフラノース
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: C46H55N6O8P
Molecular formula furigana: C46-H55-N6-O8-P
Molecular weight: 850.954
InChI: InChI=1S/C46H55N6O8P/c1-9-26-55-43-41-42(48-44(49-43)50-45(53)56-27-10-2)51(31-47-41)40-29-38(39(59-40)30-58-61(57-28-11-3)52(32(4)5)33(6)7)60-46(34-18-14-12-15-19-34,35-20-16-13-17-21-35)36-22-24-37(54-8)25-23-36/h9-25,31-33,38-40H,1-3,26-30H2,4-8H3,(H,48,49,50,53)/t38-,39+,40+,61?/m0/s1
InChI key: NDFDILWOAKUFAR-RWBXVDCNSA-N
SMILES: COc1ccc(cc1)C(O[C@H]1C[C@@H](O[C@@H]1COP(OCC=C)N(C(C)C)C(C)C)n1cnc2c(OCC=C)nc(NC(=O)OCC=C)nc12)(c1ccccc1)c1ccccc1
Systematic name  (3):
  • 1-[2-[(アリルオキシカルボニル)アミノ]-6-(アリルオキシ)-9H-プリン-9-イル]-3-O-[ジフェニル(4-メトキシフェニル)メチル]-5-O-[(アリルオキシ)(ジイソプロピルアミノ)ホスフィノ]-1,2-ジデオキシ-β-D-リボフラノース
  • プロパ-2-エン-1-イル N-{9-[(2R,4S,5R)-5-[({[ビス(プロパン-2-イル)アミノ](プロパ-2-エン-1-イルオキシ)ホスファニル}オキシ)メチル]-4-[(4-メトキシフェニル)ジフェニルメトキシ]オキソラン-2-イル]-6-(プロパ-2-エン-1-イルオキシ)-9H-プリン-2-イル}カルバマート
  • prop-2-en-1-yl N-{9-[(2R,4S,5R)-5-[({[bis(propan-2-yl)amino](prop-2-en-1-yloxy)phosphanyl}oxy)methyl]-4-[(4-methoxyphenyl)diphenylmethoxy]oxolan-2-yl]-6-(prop-2-en-1-yloxy)-9H-purin-2-yl}carbamate
Other name (1):
  • 1-[2-[(Allyloxycarbonyl)amino]-6-(allyloxy)-9H-purine-9-yl]-3-O-[diphenyl(4-methoxyphenyl)methyl]-5-O-[(allyloxy)(diisopropylamino)phosphino]-1,2-dideoxy-β-D-ribofuranose
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