Basic information
- CAS
1032-65-1- Standard SMILES
Nc1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)n1- InChIKey
NCMVOABPESMRCP-UHFFFAOYSA-N- Molecular formula
- C9H14N3O7P
- Average molar mass
- 307.2 g/mol
- Monoisotopic mass
- 307.05693679
Overview
Cytidine 5'-(dihydrogen phosphate) is a pyrimidine 2'-deoxyribonucleoside monophosphate.
Names & identifiers
- Preferred name
- Cytidine 5'-(dihydrogen phosphate)
- IUPAC
- [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
- English name
- 2'-Deoxycytidine-5'-monophosphoric acid
- Molecular formula
- C9H14N3O7P
- Molecular weight
- 307.2
Names & synonyms
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphateCytidine 5'-(dihydrogen phosphate)(5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methyl dihydrogen phosphateRefChem:581413[5-(4-amino-2-oxohydropyrimidinyl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phos phateC9H14N3O7PSCHEMBL12940502DTXSID70862516CHEBI:181630s3268SBB009953AKOS015998311
Show more names
DCMPdCMP.H2dCMP(2-)Deoxy-CMPDEOXYCYTIDYLIC ACIDDESOXYCYTIDYLIC ACID2'-Deoxycytidylic acid2'-Deoxy-5'-cytidylic aciddeoxycytidinemonophosphatedCMP, Deoxycytidylic acid
[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphatedCMP Hydrate; Deoxycytidylic acid hydrateST013873DB-040435NS00014660ST509945424-Amino-1-(2-deoxy-5-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one[5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 502
Physicochemical properties
- Melting point
- 169 · 169-172 °C (dec.)
- Boiling point
- 633.8 · 633.8±65.0 °C(Predicted)
- Density
- 2.01 · 2.01±0.1 g/cm3(Predicted)
- refractive index
- 37 ° · 37 ° (C=1, H2O)
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 10 mg/mL, clear, colorless
- form
- Crystalline Powder
- pka
- 1.86 · 1.86±0.10(Predicted)
- color
- White
- biological source
- synthetic
- Water Solubility
- Soluble in water.
- BRN
- 41062 · 41062
- InChI
- InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
- InChIKey
- NCMVOABPESMRCP-SHYZEUOFSA-N
- SMILES
- P(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O)(O)(O)=O
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-37/39-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H332-H312
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Applications
UsesA phosphorylated metabolite of the deoxyribonucleoside 2’Deoxycytidine. A constituent of Deoxyribonucleic acid. Studies show that it increases influenza virus antigen-induced immune cell proliferatio n.
Uses2'-Deoxycytidine-5'-monophosphate is used as a substrate of uridine monophosphate (UMP)/cytidine monophosphate (CMP) kinase (EC 2.7.4.4) to form dCDP which upon phosphorylation to dCTP supports DNA and RNA biosynthesis.
General Description2′-Deoxycytidine 5′-monophosphate is a deoxynucleotide building block via which DNA is made. It consists of a 2′-deoxy-β-D-ribofuranose, linked through an N-β-D-glycosidic linkage to a heterocycle nitrogen cytosine. It is phosphorylated at carbon C-5′.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
成都彼样生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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