3'-Deoxy-3'-fluorocytidine

CAT: 0926-ND15613-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-ND15613-01Size:5 mg

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CAS Number

123402-20-0

MDL Number

MFCD20134042

Smiles

C1=CN (C (=O) N=C1N) [C@H]2[C@@H] ([C@@H] ([C@H] (O2) CO) F) O

Molecular Formula

C9H12FN3O4

Molecular Weight

245.21 g/mol

Controlled

Chemical Information

3'-Fluoro-3'-deoxycytidine

CAS Number	123402-20-0
PubChem CID	451603
IUPAC Name	4-amino-1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Formula	C9H12FN3O4
Molecular Weight	245.21
XLogP	-1.7
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	386

SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)F)O

InChI

InChI=1S/C9H12FN3O4/c10-6-4(3-14)17-8(7(6)15)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1

InChIKey

PKOBNLOZXOHYOP-XVFCMESISA-N

Chemical Structure

2D Structure

CAS: 123402-20-0

CID: 451603

Formula: C9H12FN3O4

MW: 245.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.21
XLogP3	-1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	245.08118403
Monoisotopic Mass	245.08118403
Topological Polar Surface Area	108 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
NA163052-01	3'-Azido-3'-deoxy-5-fluorocytidine
ND06189-01	2'-Deoxy-2'-fluorocytidine
ND04700-01	5'-Deoxy-5-fluorocytidine
ND10199-01	2'-Deoxy-5-fluorocytidine
ND145453	2'-Deoxy-2'-fluorocytidine-5'-monophosphate
NA02623-01	N4-Acetyl-2'-deoxy-2'-fluorocytidine
FF86832	2'-Deoxy-5-fluorocytidine 5'-monophosphate
NB57534-01	N4-Benzoyl-2'-deoxy-2'-fluorocytidine
ND09530-01	2'-Deoxy-2'-fluorocytidine-5'-triphosphate tetralithium
ND06060-01	2'-Deoxy-5'-O-DMT-2'-fluorocytidine

Catalog	Name
TNU0006-01	3'-Deoxy-3'-fluorocytidine
HY-152771-01	3′-Deoxy-3′-fluorocytidine
T19133-01	3'-Azido-3'-deoxy-5-fluorocytidine
A19191-5	3'-Azido-3'-deoxy-5-fluorocytidine 5mg
A19191-25	3'-Azido-3'-deoxy-5-fluorocytidine 25mg
A19191-2	3'-Azido-3'-deoxy-5-fluorocytidine 2mg
295355-01	4'-C-Azido-3'-deoxy-3'-fluorocytidine
A19191-100	3'-Azido-3'-deoxy-5-fluorocytidine 100mg
A19191-10	3'-Azido-3'-deoxy-5-fluorocytidine 10mg
A19191-50	3'-Azido-3'-deoxy-5-fluorocytidine 50mg