Deprecated ChemSpider Record

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ChemSpider 2D Image | (7S)-4-Hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium 4-oxide | C41H84N2O6P

(7S)-4-Hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium 4-oxide

  • Molecular FormulaC41H84N2O6P
  • Average mass732.089 Da
  • Monoisotopic mass731.606018 Da
  • ChemSpider ID4446701

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Date of deprecation: 13:33, Feb 22, 2024
Reason for deprecation: Deprecate record: Testing Bad record 2

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

85187-10-6 [RN]
N-Acyl-4-sphingenyl-1-O-phosphorylcholine
N-Acyl-D-sphingosine-1-phosphocholine
Sphingomyelin
N-(octadecanoyl)-sphing-4-enine-1-phosphocholine
Sphingomyelin SM(d18:1/18:0)

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

LMSP03010001 [DBID]

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: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 10.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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