Found 6 results

Search term: MF = 'C_{37}H_{45}NO_{14}'
ChemSpider 2D Image | Methyl 6-O-[(3aR,4R,6R,7S,7aR)-7-acetoxy-6-(acetoxymethyl)-3-acetyl-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-4-yl]-2-O-allyl-3,4-di-O-benzyl-alpha-D-mannopyranoside | C37H45NO14

Methyl 6-O-[(3aR,4R,6R,7S,7aR)-7-acetoxy-6-(acetoxymethyl)-3-acetyl-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-4-yl]-2-O-allyl-3,4-di-O-benzyl-α-D-mannopyranoside

  • Molecular FormulaC37H45NO14
  • Average mass727.752 Da
  • Monoisotopic mass727.283997 Da
  • ChemSpider ID9356804

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6-O-[(3aR,4R,6R,7S,7aR)-7-Acétoxy-6-(acétoxyméthyl)-3-acétyl-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-4-yl]-2-O-allyl-3,4-di-O-benzyl-α-D-mannopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 6-O-[(3aR,4R,6R,7S,7aR)-7-acetoxy-6-(acetoxymethyl)-3-acetyl-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-4-yl]-2-O-allyl-3,4-di-O-benzyl-α-D-mannopyranoside [ACD/IUPAC Name]
Methyl-6-O-[(3aR,4R,6R,7S,7aR)-7-acetoxy-6-(acetoxymethyl)-3-acetyl-2-oxohexahydro-4H-pyrano[3,4-d][1,3]oxazol-4-yl]-2-O-allyl-3,4-di-O-benzyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, methyl 6-O-[(3aR,4R,6R,7S,7aR)-3-acetyl-7-(acetyloxy)-6-[(acetyloxy)methyl]hexahydro-2-oxo-4H-pyrano[3,4-d]oxazol-4-yl]-3,4-bis-O-(phenylmethyl)-2-O-2-propen-1-yl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 806.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 441.6±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 182.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3191.73
ACD/KOC (pH 5.5): 11214.41
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3191.73
ACD/KOC (pH 7.4): 11214.41
Polar Surface Area: 164 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 553.0±5.0 cm3

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