CAS 63-38-7 Cytidine Diphosphate (HCID 6132)

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Basic information

CAS: 63-38-7
Standard SMILES: Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
InChIKey: ZWIADYZPOWUWEW-XVFCMESISA-N
Molecular formula: C9H15N3O11P2
Average molar mass: 403.18 g/mol
Monoisotopic mass: 403.01818156

Overview

CDP is a pyrimidine ribonucleoside 5'-diphosphate having cytosine as the nucleobase. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a cytidine 5'-phosphate and a pyrimidine ribonucleoside 5'-diphosphate. It is a conjugate acid of a CDP(3-).

Names & identifiers

Preferred name: Cytidine Diphosphate
IUPAC: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
English name: Sulbactum Sodium
Molecular formula: C9H15N3O11P2
Molecular weight: 403.18

Names & synonyms

Cytidine diphosphatecytidine-5'-diphosphate63-38-75'-CDP1ZH821MXU5DTXSID501014481[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateDiphosphate, Cytidine((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphono hydrogen phosphateRefChem:130309DTXCID001437064disodium;((5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-oxido-phosphoryl) hydrogen phosphate

Show more names

5′-CDP,2NaCyclazosin Impurity 2Citicoline Impurity 11Cytidine 5'-(trihydrogen pyrophosphate)

Cytidine 5'-diphosphateCytidine 5'-(trihydrogen diphosphate)Cytidine coenzymeCytidine 5'-pyrophosphateCDPCytidine 5'-diphosphoric acidCytidine 5'-pyrophosphoric acidSulbactum sodium

Database identifiers

Properties

Computed structural properties

XLogP: -4.5
Topological polar surface area: 222 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 11
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 690

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

LogP2.44

Physical DescriptionSolid

Collision Cross Section · 3 items

179.9 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

171.31 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

176.3 Å² [M-2H+Na]-

Physicochemical properties

Melting point: 183 °C · 183 °C (decomp)
Boiling point: 767.4 · 767.4±70.0 °C(Predicted)
Density: 2.35 · 2.35±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 1.04 · 1.04±0.50(Predicted)
FDA UNII: 1 ZH821MXU5 · 1ZH821MXU5
Symbol(GHS)

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsMitochondria

Metabolite PathwaysBeta Ureidopropionase Deficiency

Applications · 1 item

UsesCytidine diphosphate-13C9,15N3 dilithium is 13C and 15N-labeled Cytidine diphosphate (HY-113400). Cytidine diphosphate is a nucleoside diphosphate that acts as a carrier for phosphorylcholine, diacylglycerol, and other molecules during phospholipid synthesis.

Suppliers47 total

北京华美互利生物化工010-56205725 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

Related reactions

1 records

New reaction record

HRID 328551As reactantuspto-grants-1977_04

Compound notes

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