Chem
J-GLOBAL ID:200907001701463478   Nikkaji number:J2.723.187J

(2R)-N-(15-Methylhexadecyl)-2-[[(2R)-2,3-bis(15-methylhexadecanoyloxy)propoxy]phosphinyloxy]-3-[2-(acetylamino)-2-deoxy-α-D-glucopyranosyloxy]propanamide

(2R)-N-(15-メチルヘキサデシル)-2-[[(2R)-2,3-ビス(15-メチルヘキサデカノイルオキシ)プロポキシ]ホスフィニルオキシ]-3-[2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノシルオキシ]プロパンアミド
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: C65H125N2O14P
Molecular formula furigana: C65-H125-N2-O14-P
Molecular weight: 1189.689
InChI: InChI=1S/C65H125N2O14P/c1-52(2)42-36-30-24-18-12-8-9-17-23-29-35-41-47-66-64(74)58(51-77-65-61(67-55(7)69)63(73)62(72)57(48-68)80-65)81-82(75)78-50-56(79-60(71)46-40-34-28-22-16-11-14-20-26-32-38-44-54(5)6)49-76-59(70)45-39-33-27-21-15-10-13-19-25-31-37-43-53(3)4/h52-54,56-58,61-63,65,68,72-73,82H,8-51H2,1-7H3,(H,66,74)(H,67,69)/t56-,57-,58-,61-,62-,63-,65+/m1/s1
InChI key: QWEXUNIONWADMY-NDJKDUAASA-N
SMILES: CC(C)CCCCCCCCCCCCCCNC(=O)[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C)OP(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C
Systematic name  (3):
  • (2R)-N-(15-メチルヘキサデシル)-2-[[(2R)-2,3-ビス(15-メチルヘキサデカノイルオキシ)プロポキシ]ホスフィニルオキシ]-3-[2-(アセチルアミノ)-2-デオキシ-α-D-グルコピラノシルオキシ]プロパンアミド
  • (2R)-1-({[(1R)-2-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1-[(15-メチルヘキサデシル)カルバモイル]エトキシ]ホスホノイル}オキシ)-3-[(15-メチルヘキサデカノイル)オキシ]プロパン-2-イル 15-メチルヘキサデカノアート
  • (2R)-1-({[(1R)-2-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[(15-methylhexadecyl)carbamoyl]ethoxy]phosphonoyl}oxy)-3-[(15-methylhexadecanoyl)oxy]propan-2-yl 15-methylhexadecanoate
Other name (1):
  • (2R)-N-(15-Methylhexadecyl)-2-[[(2R)-2,3-bis(15-methylhexadecanoyloxy)propoxy]phosphinyloxy]-3-[2-(acetylamino)-2-deoxy-α-D-glucopyranosyloxy]propanamide
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