2'-Deoxycytidine monohydrate

CAS
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CAS
951-77-9
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Purity
98%+
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Catalog Number

ACM951779

Product Name

2'-Deoxycytidine monohydrate

Structure

CAS

951-77-9

Category

Heterocyclic Organic Compound

Synonyms

2-Deoxycystidine

IUPAC Name

4-Amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Molecular Weight

227.22

Molecular Formula

C9H13N3O4

Canonical SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)CO)O

InChI

InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1

InChI Key

CKTSBUTUHBMZGZ-SHYZEUOFSA-N

Boiling Point

368.93 °C

Melting Point

209-211 °C(lit.)

Flash Point

254.8 °C

Density

1.3171 g/cm³

Solubility

Soluble in water, DMSO

Appearance

White powder crystalline

Storage

-20 °C

Complexity

355

EC Number

213-454-1

Exact Mass

227.09060590

H-Bond Acceptor

H-Bond Donor

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O

Monoisotopic Mass

227.09060590

pKa

14.03±0.60(Predicted)

Safety Description

S24/25

Stability

Stable under normal temperatures and pressures.

Topological Polar Surface Area

108 Å²

WGK Germany

MSDS

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COA

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Spec Sheet

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