Basic information
- CAS
3036-18-8- Standard SMILES
NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O- InChIKey
WVIMUEUQJFPNDK-PEBGCTIMSA-N- Molecular formula
- C11H20N4O11P2
- Average molar mass
- 446.24 g/mol
- Monoisotopic mass
- 446.06038146
Overview
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-).
Names & identifiers
- Preferred name
- CDP-Ethanolamine
- IUPAC
- [2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- English name
- 2-aminoethoxy-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid
- Molecular formula
- C11H20N4O11P2
- Molecular weight
- 446.24
Names & synonyms
CDP-ethanolamine3036-18-8CDP ethanolaminecytidine diphosphate ethanolamine[2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateCHEBI:16732Cytidine 5'-(trihydrogen diphosphate), P'-(2-aminoethyl) ester[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](2-aminoethoxy)phosphinic acid(((((2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(2-aminoethoxy)phosphinic acid(2-aminoethoxy(hydroxy)phosphoryl) ((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphateRefChem:124146Cytidine 5'-diphosphoethanolamine
Show more names
Cytidine 5'-diphosphate ethanolamineAzacitidine Impurity 51Cytidine 5'-Diphosphate EthaCiticoline Impurity 7 MonomerCytidine 5′-diphosphoethanolamine
Properties
Computed structural properties
- XLogP
- -7.2
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 746
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section
188.2 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
188.1 Ų [M-H]-
Physicochemical properties
- Melting point
- 164 °C · >164°C (dec.)
- Boiling point
- 736 · 736.0±70.0 °C(Predicted)
- Density
- 2.13 · 2.13±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Water (Slightly)
- pka
- 0.91 · 0.91±0.50(Predicted)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Pharmacology
Tissue LocationsIntestine
Cellular LocationsCytoplasm
Metabolite PathwaysPhosphatidylcholine Biosynthesis
Applications
UsesCytidine 5’-Diphosphate Ethanolamine Disodium Salt is an analog of Cytidine 5’-Diphosphate with an important role in the metabolism of phospholipides.
Suppliers26 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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