 Home > Encyclopedia > CDP-ethanolamine

CDP-ethanolamine

CDP-ethanolamine structure

CAS No:
3036-18-8
Formula:
C11H20N4O11P2
Chemical Name:
CDP-ethanolamine
Synonyms:
Cytidine 5′-(trihydrogen diphosphate),P′-(2-aminoethyl) ester;Cytidine 5′-(trihydrogen pyrophosphate),mono(2-aminoethyl) ester;Cytidine pyrophosphate,2-aminoethyl ester;Ethanol,2-amino-,monoester with cytidine 5′-(trihydrogen pyrophosphate);Cytidine diphosphate ethanolamine;CDP-ethanolamine;Cytidine 5′-diphosphate ethanolamine;Cytidine 5′-diphosphoethanolamine;Cytidine diphosphoethanolamine
Categories:
Organic Chemistry > Amides

Description

ChEBI: A phosphoethanolamine consisting of ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen.

Solid

CDP-ethanolamine is a phosphoethanolamine consisting of ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen. It has a role as a mouse metabolite. It is a member of nucleotide-(amino alcohol)s and a phosphoethanolamine. It is a conjugate acid of a CDP-ethanolamine(1-).

CDP-ethanolamine Basic Attributes

Molecular Weight：

446.24

Exact Mass：

446.24

Characteristics

PSA：

237

XLogP3：

-1.20130

Appearance：

Solid

Density：

2.13±0.1 g/cm3(Predicted)

Boiling Point：

736ºC at 760mmHg

Flash Point：

398.9ºC

Refractive Index：

1.736

Collision Cross Section：

188.2 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|186.1 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|185.9 Å² [M-2H+Na]-

Drug Information

MeSH Entry Terms：

CDP ethanolamine

Computed Properties

Molecular Weight:446.24
XLogP3:-7.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:446.06038146
Monoisotopic Mass:446.06038146
Topological Polar Surface Area:237
Heavy Atom Count:28
Complexity:746
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes