Phosphatidylserine

C₄₂H₈₂NO₁₀PCAS 51446-62-9792.09 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Phosphate Primary amine

Properties

Molecular formula: C₄₂H₈₂NO₁₀P
Molar mass: 792.09 g/mol
Exact mass: 791.5676 Da
logP: 11.51Crippen estimate
Polar surface area: 171.7 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 42
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

51446-62-9

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC

InChIKey

TZCPCKNHXULUIY-RGULYWFUSA-N

InChI

InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Phosphatidylserines

Work with Phosphatidylserine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Distearoyl-sn-glycero-3-phosphoethanolamine1069-79-071 % similar Dipalmitoylphosphatidylethanolamine923-61-571 % similar Dimyristoylphosphatidylethanolamine998-07-271 % similar Sodium 1,2-dioleoyl-sn-glycero-3-phospho-L-serine90693-88-270 % similar 1,2-Dioleoyl-sn-glycerophosphoethanolamine4004-05-166 % similar Adenosine deaminase9026-93-161 % similar Poly(oxy-1,2-ethanediyl), α-[6-hydroxy-6-oxido-1,12-dioxo-9-[(1-oxooctadecyl)oxy]-5,7,11-trioxa-2-aza-6-phosphanonacos-1-yl]-ω-methoxy-147867-65-060 % similar DSPE-PEG 2000 Amine474922-26-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook