Chem
J-GLOBAL ID：200907014859481486   Nikkaji number：J2.082.631B

6-O-[4-O-[6-O-[2-O-[2-O-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-mannopyranosyl)-3-O,4-O-dibenzyl-6-O-(2-aminoethoxyphosphonyl)-α-D-mannopyranosyl]-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl]-2-O,3-O,4-O-tribenzyl-α-D-mannopyranosyl]-3-O,6-O-dibenzyl-2-azido-2-deoxy-α-D-glucopyranosyl]-3-O,4-O,5-O-tribenzyl-D-myo-inositol 1,2-phosphoric acid

6-O-[4-O-[6-O-[2-O-[2-O-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)-3-O,4-O-ジベンジル-6-O-(2-アミノエトキシホスホニル)-α-D-マンノピラノシル]-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル]-2-O,3-O,4-O-トリベンジル-α-D-マンノピラノシル]-3-O,6-O-ジベンジル-2-アジド-2-デオキシ-α-D-グルコピラノシル]-3-O,4-O,5-O-トリベンジル-D-myo-イノシトール1,2-りん酸
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： C157H168N2[N-][N+]O35P2
Molecular formula furigana： C157-H168-N4-O35-P2
Molecular weight： 2733.012
InChI： InChI=1S/C157H168N4O35P2/c158-86-87-184-197(162,163)185-109-131-136(172-94-116-64-30-7-31-65-116)142(177-99-121-74-40-12-41-75-121)152(194-156-150(182-104-126-84-50-17-51-85-126)139(174-96-118-68-34-9-35-69-118)133(169-91-113-58-24-4-25-59-113)128(188-156)106-167-89-111-54-20-2-21-55-111)157(190-131)193-151-141(176-98-120-72-38-11-39-73-120)134(170-92-114-60-26-5-27-61-114)127(105-166-88-110-52-18-1-19-53-110)187-154(151)183-108-130-135(171-93-115-62-28-6-29-63-115)140(175-97-119-70-36-10-37-71-119)149(181-103-125-82-48-16-49-83-125)155(189-130)191-137-129(107-168-90-112-56-22-3-23-57-112)186-153(132(160-161-159)138(137)173-95-117-66-32-8-33-67-117)192-146-144(179-101-123-78-44-14-45-79-123)143(178-100-122-76-42-13-43-77-122)145(147-148(146)196-198(164,165)195-147)180-102-124-80-46-15-47-81-124/h1-85,127-157H,86-109,158H2,(H,162,163)(H,164,165)
InChI key： JDCNNKOKWDLHEC-UHFFFAOYSA-N
SMILES： NCCOP(=O)(O)OCC1OC(OC2C(OCC3OC(OC4C(COCc5ccccc5)OC(OC5C6OP(=O)(O)OC6C(OCc6ccccc6)C(OCc6ccccc6)C5OCc5ccccc5)C(N=[N+]=[N-])C4OCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
Systematic name  (3)：
  • 6-O-[4-O-[6-O-[2-O-[2-O-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)-3-O,4-O-ジベンジル-6-O-(2-アミノエトキシホスホニル)-α-D-マンノピラノシル]-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル]-2-O,3-O,4-O-トリベンジル-α-D-マンノピラノシル]-3-O,6-O-ジベンジル-2-アジド-2-デオキシ-α-D-グルコピラノシル]-3-O,4-O,5-O-トリベンジル-D-myo-イノシトール1,2-りん酸
  • (2-アミノエトキシ)({[6-({2-[(6-{[5-アジド-4-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-6-{[5,6,7-トリス(ベンジルオキシ)-2-ヒドロキシ-2-オキソ-ヘキサヒドロ-2H-1,3,2λ5-ベンゾジオキサホスホール-4-イル]オキシ}オキサン-3-イル]オキシ}-3,4,5-トリス(ベンジルオキシ)オキサン-2-イル)メトキシ]-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-3-イル}オキシ)-3,4-ビス(ベンジルオキシ)-5-{[3,4,5-トリス(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}オキサン-2-イル]メトキシ})ホスフィン酸
  • (2-aminoethoxy)({[6-({2-[(6-{[5-azido-4-(benzyloxy)-2-[(benzyloxy)methyl]-6-{[5,6,7-tris(benzyloxy)-2-hydroxy-2-oxo-hexahydro-2H-1,3,2λ5-benzodioxaphosphol-4-yl]oxy}oxan-3-yl]oxy}-3,4,5-tris(benzyloxy)oxan-2-yl)methoxy]-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-3-yl}oxy)-3,4-bis(benzyloxy)-5-{[3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methoxy})phosphinic acid
Other name (1)：
  • 6-O-[4-O-[6-O-[2-O-[2-O-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-mannopyranosyl)-3-O,4-O-dibenzyl-6-O-(2-aminoethoxyphosphonyl)-α-D-mannopyranosyl]-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl]-2-O,3-O,4-O-tribenzyl-α-D-mannopyranosyl]-3-O,6-O-dibenzyl-2-azido-2-deoxy-α-D-glucopyranosyl]-3-O,4-O,5-O-tribenzyl-D-myo-inositol 1,2-phosphoric acid
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