ChemSpider 2D Image | Ceramide 3B | C36H71NO4

Ceramide 3B

  • Molecular FormulaC36H71NO4
  • Average mass581.953 Da
  • Monoisotopic mass581.538330 Da
  • ChemSpider ID29320046

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9Z)-N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]-9-octadecenamid [German] [ACD/IUPAC Name]
(9Z)-N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]-9-octadecenamide [ACD/IUPAC Name]
(9Z)-N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadécanyl]-9-octadécénamide [French] [ACD/IUPAC Name]
100403-19-8 [RN]
178436-06-1 [RN]
9-Octadecenamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-, (9Z)- [ACD/Index Name]
Ceramide 3B
CERAMIDE NP
(9Z)-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadec-9-enamide
(Z)-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadec-9-enamide
More...

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

4370DF050B [DBID]
UNII:4370DF050B [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 721.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 390.0±32.9 °C
Index of Refraction: 1.486
Molar Refractivity: 177.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.11
ACD/LogD (pH 5.5): 12.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 90 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 616.0±3.0 cm3

Click to predict properties on the Chemicalize site


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