ChemSpider 2D Image | (7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(5-oxopentanoyl)oxy]-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide | C19H37NO9P

(7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(5-oxopentanoyl)oxy]-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide

  • Molecular FormulaC19H37NO9P
  • Average mass454.472 Da
  • Monoisotopic mass454.220032 Da
  • ChemSpider ID26332094

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7R) 4-Oxyde de 4-hydroxy-N,N,N-triméthyl-10-oxo-7-[(5-oxopentanoyl)oxy]-3,5,9-trioxa-4-phosphapentadécan-1-aminium [French] [ACD/IUPAC Name]
(7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(5-oxopentanoyl)oxy]-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide [ACD/IUPAC Name]
(7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(5-oxopentanoyl)oxy]-3,5,9-trioxa-4-phosphapentadecan-1-aminium-4-oxid [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-2-[(1,5-dioxopentyl)oxy]-3-[(1-oxohexyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl- [ACD/Index Name]
1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-PC
1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
C6OVPC
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-sn-glycero-3-phosphocholine having caproyl and 5-oxovaleryl groups at the 1- and 2-positions respectively. ChEBI CHEBI:61043

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.32
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.32
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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