Chem
J-GLOBAL ID:200907023368800430   Nikkaji number:J2.082.632K

6-O-[4-O-[6-O-[2-O-[2-O-(2-O-Acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-3-O,4-O-dibenzyl-6-O-[2-(benzyloxycarbonylamino)ethoxyphosphonyl]-α-D-mannopyranosyl]-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl]-2-O-benzoyl-3-O,4-O-dibenzyl-α-D-mannopyranosyl]-3-O,6-O-dibenzyl-2-azido-2-deoxy-α-D-glucopyranosyl]-2-O,3-O,4-O,5-O-tetrabenzyl-D-myo-inositol 1-[phosphoric acid 6-(benzylthio)hexyl] ester

6-O-[4-O-[6-O-[2-O-[2-O-(2-O-アセチル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-3-O,4-O-ジベンジル-6-O-[2-(ベンジルオキシカルボニルアミノ)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-ベンゾイル-3-O,4-O-ジベンジル-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]-2-O,3-O,4-O,5-O-テトラベンジル-D-myo-イノシトール1-[りん酸6-(ベンジルチオ)ヘキシル]
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: C180H194N2[N-][N+]O40P2S
Molecular formula furigana: C180-H194-N4-O40-P2-S
Molecular weight: 3147.530
InChI: InChI=1S/C180H194N4O40P2S/c1-128(185)213-171-161(201-114-138-81-41-13-42-82-138)155(196-109-133-71-31-8-32-72-133)149(123-193-106-130-65-25-5-26-66-130)216-177(171)223-173-163(203-116-140-85-45-15-46-86-140)157(198-111-135-75-35-10-36-76-135)152(126-212-225(188,189)211-103-101-182-180(187)209-121-145-95-55-20-56-96-145)218-179(173)222-170-160(200-113-137-79-39-12-40-80-137)154(195-108-132-69-29-7-30-70-132)148(122-192-105-129-63-23-4-24-64-129)215-176(170)208-125-151-156(197-110-134-73-33-9-34-74-134)162(202-115-139-83-43-14-44-84-139)172(219-174(186)147-99-59-22-60-100-147)178(217-151)220-158-150(124-194-107-131-67-27-6-28-68-131)214-175(153(183-184-181)159(158)199-112-136-77-37-11-38-78-136)221-168-166(206-119-143-91-51-18-52-92-143)164(204-117-141-87-47-16-48-88-141)165(205-118-142-89-49-17-50-90-142)167(207-120-144-93-53-19-54-94-144)169(168)224-226(190,191)210-102-61-2-3-62-104-227-127-146-97-57-21-58-98-146/h4-60,63-100,148-173,175-179H,2-3,61-62,101-127H2,1H3,(H,182,187)(H,188,189)(H,190,191)
InChI key: MVUZGDQERCHRJL-UHFFFAOYSA-N
SMILES: CC(=O)OC1C(OC2C(OC3C(OCC4OC(OC5C(COCc6ccccc6)OC(OC6C(OCc7ccccc7)C(OCc7ccccc7)C(OCc7ccccc7)C(OCc7ccccc7)C6OP(=O)(O)OCCCCCCSCc6ccccc6)C(N=[N+]=[N-])C5OCc5ccccc5)C(OC(=O)c5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)OC(COP(=O)(O)OCCNC(=O)OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
Systematic name  (3):
  • 6-O-[4-O-[6-O-[2-O-[2-O-(2-O-アセチル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-3-O,4-O-ジベンジル-6-O-[2-(ベンジルオキシカルボニルアミノ)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-ベンゾイル-3-O,4-O-ジベンジル-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]-2-O,3-O,4-O,5-O-テトラベンジル-D-myo-イノシトール1-[りん酸6-(ベンジルチオ)ヘキシル]
  • [(5-{[3-(アセチルオキシ)-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-2-イル]オキシ}-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-{[2,3,4,5-テトラキス(ベンジルオキシ)-6-[({[6-(ベンジルスルファニル)ヘキシル]オキシ}(ヒドロキシ)ホスホリル)オキシ]シクロヘキシル]オキシ}オキサン-3-イル]オキシ}-5-(ベンゾイルオキシ)-3,4-ビス(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)オキサン-2-イル)メトキシ](2-{[(ベンジルオキシ)カルボニル]アミノ}エトキシ)ホスフィン酸
  • [(5-{[3-(acetyloxy)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}-6-({2-[(6-{[5-azido-4-(benzyloxy)-2-[(benzyloxy)methyl]-6-{[2,3,4,5-tetrakis(benzyloxy)-6-[({[6-(benzylsulfanyl)hexyl]oxy}(hydroxy)phosphoryl)oxy]cyclohexyl]oxy}oxan-3-yl]oxy}-5-(benzoyloxy)-3,4-bis(benzyloxy)oxan-2-yl)methoxy]-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-3-yl}oxy)-3,4-bis(benzyloxy)oxan-2-yl)methoxy](2-{[(benzyloxy)carbonyl]amino}ethoxy)phosphinic acid
Other name (1):
  • 6-O-[4-O-[6-O-[2-O-[2-O-(2-O-Acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-3-O,4-O-dibenzyl-6-O-[2-(benzyloxycarbonylamino)ethoxyphosphonyl]-α-D-mannopyranosyl]-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl]-2-O-benzoyl-3-O,4-O-dibenzyl-α-D-mannopyranosyl]-3-O,6-O-dibenzyl-2-azido-2-deoxy-α-D-glucopyranosyl]-2-O,3-O,4-O,5-O-tetrabenzyl-D-myo-inositol 1-[phosphoric acid 6-(benzylthio)hexyl] ester
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