ChemSpider 2D Image | (7R)-4-Hydroxy-N,N,N-trimethyl-7-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide | C36H63N5O11P

(7R)-4-Hydroxy-N,N,N-trimethyl-7-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide

  • Molecular FormulaC36H63N5O11P
  • Average mass772.885 Da
  • Monoisotopic mass772.425598 Da
  • ChemSpider ID26331610

  • 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-7-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium [French] [ACD/IUPAC Name]
(7R)-4-Hydroxy-N,N,N-trimethyl-7-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide [ACD/IUPAC Name]
(7R)-4-Hydroxy-N,N,N-trimethyl-7-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium-4-oxid [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-3-[(1-oxohexadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl- [ACD/Index Name]
1-hexadecanoyl-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}-sn-glycero-3-phosphocholine
1-palmitoyl-2-(6-(N-(7-nitrobenz)-2-oxa-1,3-diazol-4-yl)aminocaproyl)phosphatidylcholine
2-(6-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)hexanoyl-1-hexadecanoyl-sn-glycero-3-phosphocholine
2-{[(2R)-2-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyloxy}-3-(1-hexadecanoyloxy)propoxy](hydroxy)phosphoryloxy}-N,N,N-trimethylethanaminium
81005-34-7 [RN]
C6-Nbd-PC
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9540029 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) in which the acyl groups at C-1 and C-2 are hexadecanoyl and 6-[(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]hexanoyl respectively. ChEBI CHEBI:59423

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: 16
#H bond donors: 2
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 1191.77
ACD/KOC (pH 5.5): 8204.63
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 1191.81
ACD/KOC (pH 7.4): 8204.91
Polar Surface Area: 215 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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