O-Mannopyranosyl-1-4-O-2-amino-2-deoxyglucopyranosyl-1-6-myo-inositol 1-(1,2-di-O-myristoyl-sn-glyser-3-yl hydrogen phosphate) monosodium salt
[CAS# 146076-25-7]

Identification

• Name: O-Mannopyranosyl-1-4-O-2-amino-2-deoxyglucopyranosyl-1-6-myo-inositol 1-(1,2-di-O-myristoyl-sn-glyser-3-yl hydrogen phosphate) monosodium salt
• Synonyms: Sodium (1S,2S,3S,4S,5R,6S)-3-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4,5,6-Trihydroxy-3-[Hydroxy-[(2R)-3-Tetradecanoyloxy-2-[(E)-Tetradec-1-Enoxy]Propoxy]Phosphoryl]Oxy-2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Cyclohexan-1-Olate; Sodium (1S,2S,3S,4S,5R,6S)-3-[[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4,5,6-Trihydroxy-3-[Hydroxy-[(2R)-3-(1-Oxotetradecoxy)-2-[(E)-Tetradec-1-Enoxy]Propoxy]Phosphoryl]Oxy-2-[[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1-Cyclohexanolate; Sodium (1S,2S,3S,4S,5R,6S)-3-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4,5,6-Trihydroxy-3-[Hydroxy-[(2R)-3-Tetradecanoyloxy-2-[(E)-Tetradec-1-Enoxy]Propoxy]Phosphoryl]Oxy-2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Cyclohexan-1-Olate
• Molecular Formula: C₄₉H₉₁NNaO₂₂P
• Molecular Weight: 1100.21
• CAS Registry Number: 146076-25-7
• SMILES: [C@]3(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1N)CO)(O[P](OC[C@H](O\C=C\CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(=O)O)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@@H]([O-])[C@H](O)[C@@H](O)[C@@H]3O.[Na+]
• InChI: 1S/C49H91NO22P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-65-32(30-66-35(53)26-24-22-20-18-16-14-12-10-8-6-4-2)31-67-73(63,64)72-49(71-47-36(50)39(56)37(54)33(28-51)68-47)45(62)42(59)41(58)43(60)46(49)70-48-44(61)40(57)38(55)34(29-52)69-48;/h25,27,32-34,36-48,51-52,54-59,61-62H,3-24,26,28-31,50H2,1-2H3,(H,63,64);/q-1;+1/b27-25+;/t32-,33-,34-,36-,37-,38-,39-,40+,41-,42-,43+,44+,45+,46+,47-,48-,49+;/m1./s1
• InChIKey: SRTDAYJHLCBICV-JZCCSEIISA-N

Properties

• Boiling point: 1081.4°C at 760 mmHg (Cal.)
• Flash point: 607.8°C (Cal.)