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70778-75-5

70778-75-5 structural image
Product Name: 1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine
Formula: C42H82NO8P?0.5H2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 287.22 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 290.58 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 293.91 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Ambiguous Lipids]
Chemical Classes Lipids -> Ambiguous Lipids

COMPUTED DESCRIPTORS

Molecular Weight 760.1 g/mol
XLogP3 13.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 41
Exact Mass 759.57780557 g/mol
Monoisotopic Mass 759.57780557 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 899
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is a phosphatidylcholine 34:1 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively. It has a role as a mouse metabolite. It is a phosphatidylcholine 34:1 and a 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine. It is functionally related to a hexadecanoic acid and an oleic acid.