5-CMP

CAT: 0127-OR1011864-03Size: 10 KgDry Ice: NoHazardous: No

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CAT#:0127-OR1011864-03Size:10 Kg

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CAS Number

63-37-6

MDL Number

MFCD00006544

Purity

98%

Smiles

NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

Storage Conditions

Store at 2-8°C

Chemical Information

5'-Cytidylic acid

Cytidine 5'-monophosphate is a pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a cytidine 5'-phosphate and a pyrimidine ribonucleoside 5'-monophosphate. It is a conjugate acid of a cytidine 5'-monophosphate(2-).

CAS Number	63-37-6
PubChem CID	6131
IUPAC Name	[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular Formula	C9H14N3O8P
Molecular Weight	323.20
XLogP	-3.4
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	531

SMILES

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

InChI

InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey

IERHLVCPSMICTF-XVFCMESISA-N

Chemical Structure

2D Structure

CAS: 63-37-6

CID: 6131

Formula: C9H14N3O8P

MW: 323.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	323.20
XLogP3	-3.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	323.05185141
Monoisotopic Mass	323.05185141
Topological Polar Surface Area	175 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	531
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

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