Products 886209-09-2

CAS 886209-09-2 appears in our catalog under these names: Boron, [(7S)-20-(3,5-dimethyl-1H-pyrrol-2-yl-κN)-20-(3,5-dimethyl-2H-pyrrol-2-ylidene-κN)-4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphaeicosan-1-aminium 4-oxidato(2-)]difluoro-, (T-4)-, 98%, C11 TOPFLUOR (R) SPHINGOMYELIN. Offered by: Chemat Brand, Sigma-Aldrich. Available pack sizes: on request, 250UG.

Boron, [(7S)-20-(3,5-dimethyl-1H-pyrrol-2-yl-κN)-20-(3,5-dimethyl-2H-pyrrol-2-ylidene-κN)-4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphaeicosan-1-aminium 4-oxidato(2-)]difluoro-, (T-4)-, 98%
Chemat Brand
  • size: on request
  • Variants: 1
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C11 TOPFLUOR (R) SPHINGOMYELIN
Sigma-Aldrich
  • size: 250UG
  • Variants: 1
from 2100.00
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Structural formula: {0} (CAS {1})

[(E,2S,3R)-2-[11-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)undecanoylamino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate (CAS 886209-09-2) is a chemical compound with the molecular formula C47H82BF2N4O6P and a molecular weight of 879.0 g/mol. IUPAC name: [(E,2S,3R)-2-[11-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)undecanoylamino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate. InChIKey: MNYGEPMTYWILMC-MGHQHBRTSA-N.

Identity
Molecular formulaC47H82BF2N4O6P
Molecular weight879.0 g/mol
IUPAC name[(E,2S,3R)-2-[11-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)undecanoylamino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
InChIKeyMNYGEPMTYWILMC-MGHQHBRTSA-N
SMILES[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)CCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O)C)C)(F)F

Computed by PubChem (NCBI)