3-Deoxycytidine

CAT: 0607-BA4326-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4326-5Size:5 mg

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CAS Number

7057-33-2

Form

A solid

Molecular Formula

C9H13N3O4

Molecular Weight

227.22

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

3'-Deoxycytidine

CAS Number	7057-33-2
PubChem CID	145986
IUPAC Name	4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Formula	C9H13N3O4
Molecular Weight	227.22
XLogP	-2.3
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	355

SMILES

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

InChI

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

InChIKey

ZHHOTKZTEUZTHX-SHYZEUOFSA-N

Chemical Structure

2D Structure

CAS: 7057-33-2

CID: 145986

Formula: C9H13N3O4

MW: 227.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.22
XLogP3	-2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	227.09060590
Monoisotopic Mass	227.09060590
Topological Polar Surface Area	108 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	355
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B7862-1000	2-Deoxycytidine
B4722-1000	2'-Deoxycytidine hydrochloride
B4722-5.1	2'-Deoxycytidine hydrochloride
B4722-5000	2'-Deoxycytidine hydrochloride
B7863-1000	2-Deoxycytidine 5-monophosphate
B7863-50	2-Deoxycytidine 5-monophosphate
BA4644-10	5-Fluoro-2-deoxycytidine
B7863-10	2-Deoxycytidine 5-monophosphate
BA4644-25	5-Fluoro-2-deoxycytidine
B7863-25	2-Deoxycytidine 5-monophosphate

Catalog	Name
ND06564-01	3'-Deoxycytidine
NA12252-01	3'-Amino-3'-deoxycytidine
HY-152728	3’-Azido-3’-deoxycytidine
TNU0133-01	3'-Azido-3'-deoxycytidine
HY-152440	3’-Amino-3’-deoxycytidine
ND46720-01	2'-Deoxycytidine-3'-monophosphate
TNU1415-01	N4-Benzoyl-3'-deoxycytidine
TRC-D439670-10MG	3',4'-Didehydro-3'-deoxycytidine
TNU1592-01	5-Aza-3'-deoxycytidine
N-3003	3'-Deoxycytidine-5'-Triphosphate