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65-46-3 molecular structure
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4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

ChemBase ID: 73285
Molecular Formular: C9H13N3O5
Molecular Mass: 243.21662
Monoisotopic Mass: 243.08552053
SMILES and InChIs

SMILES:
c1(=O)n(ccc(n1)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Canonical SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N
InChI:
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKey:
UHDGCWIWMRVCDJ-XVFCMESISA-N

Cite this record

CBID:73285 http://www.chembase.cn/molecule-73285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
IUPAC Traditional name
cytidine
Synonyms
Cytidine
Cytidine
4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Cytosine β-D-riboside
Cytosine-1-β-D-ribofuranoside
胞嘧啶核糖核苷
胞嘧啶核苷
胞苷
CAS Number
65-46-3
EC Number
200-610-9
MDL Number
MFCD00006545
Beilstein Number
89173
PubChem SID
162038205
24892710
24892387
PubChem CID
6175
CHEBI ID
17562
CHEMBL
95606
Chemspider ID
5940
KEGG ID
D07769
MeSH Name
Cytidine
Unique Ingredient Identifier
5CSZ8459RP
Wikipedia Title
Cytidine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.553241  H Acceptors
H Donor LogD (pH = 5.5) -2.7975185 
LogD (pH = 7.4) -2.7975204  Log P -2.7975173 
Molar Refractivity 54.5448 cm3 Polarizability 21.48729 Å3
Polar Surface Area 128.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
H2O: soluble50 mg/mL expand Show data source
Apperance
powder expand Show data source
Melting Point
210-220 °C (dec.) expand Show data source
210-220 °C (dec.)(lit.) expand Show data source
Optical Rotation
[α]20/D +29±1°, c = 9% in H2O expand Show data source
[α]20/D +33°, c = 2 in H2O expand Show data source
Storage Condition
-20°C expand Show data source
RTECS
UW7370000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
mouse ... Uck1(22245) expand Show data source
Purity
≥99% expand Show data source
≥99.0% (HPLC) expand Show data source
99% expand Show data source
Salt Data
Free Base expand Show data source
Suitability
suitable for cell culture expand Show data source
Ignition Residue
≤0.1% expand Show data source
Empirical Formula (Hill Notation)
C9H13N3O5 expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Selleck Chemicals - S2053 external link
Research Area: Metabolic Disease
Biological Activity:
Sigma Aldrich - C4654 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Sigma Aldrich - C122106 external link
Packaging
1 g in glass bottle
10, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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