3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (7R)- supplier

Name
1-O-HEXADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE
EINECS
CAS No. 52691-62-0
Article Data13
CAS DataBase
Density
Solubility
Melting Point
Formula C₂₄H₅₂NO₆P
Boiling Point
Molecular Weight 481.65
Flash Point
Transport Information
Appearance white solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)-;1-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-2-lyso-sn-glycero-3-phosphocholine;1-O-Hexadecyl-sn-glycero-3-phosphatidylcholine;1-O-Hexadecyl-sn-glycero-3-phosphocholine;1-O-Hexadecyl-sn-glyceryl-3-phosphorylcholine;
PSA 97.86000
LogP 6.12320

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (7R)- Specification

The 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (7R)-, with CAS registry number 52691-62-0, has the systematic name of (2R)-3-(hexadecyloxy)-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate. This chemical is a kind of white solid. And it should be stored at the temperature of −20°C. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (7R)-: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 664.24; (6)ACD/BCF (pH 7.4): 664.26; (7)ACD/KOC (pH 5.5): 5399.35; (8)ACD/KOC (pH 7.4): 5399.53; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 25; (12)Polar Surface Area: 97.86 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)COCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/t24-/m1/s1
(3)InChIKey: VLBPIWYTPAXCFJ-XMMPIXPABH
(4)Std. InChI: InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/t24-/m1/s1
(5)Std. InChIKey: VLBPIWYTPAXCFJ-XMMPIXPASA-N

Product Name

1-O-HEXADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (7R)- Specification

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