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[(2R)-3-heptadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[(2R)-3-heptadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate structure

CAS No:
50930-23-9
Formula:
C25H52NO7P
Chemical Name:
[(2R)-3-heptadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Synonyms:
PC(17:0/0:0); Lysolecithin,heptadecanoyl; LyPC(17:0); 1-heptadecanoyl-sn-glycero-3-phosphocholine; Lysophosphatidylcholine(17:0/0:0); 1-heptadecanoyl-glycero-3-phosphocholine; LysoPC(17:0/0:0); 1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine;Expand

Description

Solid

1-heptadecanoyl-sn-glycero-3-phosphocholine is a lysophosphatidylcholine 17:0 in which the acyl group at position 1 is 1-heptadecanoyl and the hydroxy group at position 2 is unsubstituted. It derives from a heptadecanoic acid.

[(2R)-3-heptadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Basic Attributes

Molecular Weight：

509.65700

Exact Mass：

509.34814000

DSSTox ID：

DTXSID40647291

HScode：

2923900090

Characteristics

PSA：

114.93000

XLogP3：

6.03990

Storage Conditions：

-20ºC

Collision Cross Section：

237.7 Å² [M+HCOO]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|238.57 Å² [M+CH3COO]- [CCS Type: TIMS, Method: single field calibrated]|234.28 Å² [M+H]+ [CCS Type: TIMS, Method: single field calibrated]|237.76 Å² [M+Na]+ [CCS Type: TIMS, Method: single field calibrated]

Safety Information

wgk germany：

[(2R)-3-heptadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate Use and Manufacturing

Use Classification：

Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Monoacylglycerophosphocholines [GP0105]

Computed Properties

Molecular Weight:509.7
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:25
Exact Mass:509.34814000
Monoisotopic Mass:509.34814000
Topological Polar Surface Area:105
Heavy Atom Count:34
Complexity:532
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Lyso-Heptadecanoyl-Phosphatidylcholine

CAS No.: 50930-23-9

Content: 99.00%

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Guide of [(2R)-3-heptadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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