Chem
J-GLOBAL ID:200907048189413508   Nikkaji number:J2.305.266K

1-O-Methyl-2-deoxy-2-azido-3-O-acetyl-4-O-(2-O,4-O,6-O-tribenzyl-3-O-acetyl-α-D-glucopyranosyl)-6-O-benzyl-α-D-galactopyranose

1-O-メチル-2-デオキシ-2-アジド-3-O-アセチル-4-O-(2-O,4-O,6-O-トリベンジル-3-O-アセチル-α-D-グルコピラノシル)-6-O-ベンジル-α-D-ガラクトピラノース
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: C45H51N[N-][N+]O12
Molecular formula furigana: C45-H51-N3-O12
Molecular weight: 825.912
InChI: InChI=1S/C45H51N3O12/c1-30(49)56-41-38(47-48-46)44(51-3)58-37(29-53-25-33-18-10-5-11-19-33)40(41)60-45-43(55-27-35-22-14-7-15-23-35)42(57-31(2)50)39(54-26-34-20-12-6-13-21-34)36(59-45)28-52-24-32-16-8-4-9-17-32/h4-23,36-45H,24-29H2,1-3H3/t36-,37-,38-,39-,40+,41-,42+,43-,44+,45-/m1/s1
InChI key: TVAGBBNUUYOIJW-MZYHLMHOSA-N
SMILES: CO[C@H]1O[C@H](COCc2ccccc2)[C@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OC(=O)C)[C@H]2OCc2ccccc2)[C@H](OC(=O)C)[C@H]1N=[N+]=[N-]
Systematic name  (3):
  • 1-O-メチル-2-デオキシ-2-アジド-3-O-アセチル-4-O-(2-O,4-O,6-O-トリベンジル-3-O-アセチル-α-D-グルコピラノシル)-6-O-ベンジル-α-D-ガラクトピラノース
  • (2R,3R,4R,5R,6S)-3-{[(2R,3R,4S,5R,6R)-4-(アセチルオキシ)-3,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]オキシ}-5-アジド-2-[(ベンジルオキシ)メチル]-6-メトキシオキサン-4-イル アセタート
  • (2R,3R,4R,5R,6S)-3-{[(2R,3R,4S,5R,6R)-4-(acetyloxy)-3,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}-5-azido-2-[(benzyloxy)methyl]-6-methoxyoxan-4-yl acetate
Other name (1):
  • 1-O-Methyl-2-deoxy-2-azido-3-O-acetyl-4-O-(2-O,4-O,6-O-tribenzyl-3-O-acetyl-α-D-glucopyranosyl)-6-O-benzyl-α-D-galactopyranose
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