RO-9187

CAT: 0926-BKB70803-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-BKB70803-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

876708-03-1

MDL Number

MFCD22665689

Smiles

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

Molecular Formula

C9H12N6O5

Molecular Weight

284.23 g/mol

Controlled

Chemical Information

4-Amino-1-[(2r,3s,4s,5r)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

CAS Number	876708-03-1
PubChem CID	11514721
IUPAC Name	4-amino-1-[(2R,3S,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Formula	C9H12N6O5
Molecular Weight	284.23
XLogP	-1.8
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	529

SMILES

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

InChI

InChI=1S/C9H12N6O5/c10-4-1-2-15(8(19)12-4)7-5(17)6(18)9(3-16,20-7)13-14-11/h1-2,5-7,16-18H,3H2,(H2,10,12,19)/t5-,6-,7+,9+/m0/s1

InChIKey

ODLGMSQBFONGNG-XZMZPDFPSA-N

Chemical Structure

2D Structure

CAS: 876708-03-1

CID: 11514721

Formula: C9H12N6O5

MW: 284.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.23
XLogP3	-1.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	284.08691750
Monoisotopic Mass	284.08691750
Topological Polar Surface Area	143 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	529
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes