Sorivudine

CAT: 0607-BA4001-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4001-5Size:5 mg

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CAS Number

77181-69-2

Form

A solid

Molecular Formula

C11H13BrN2O6

Molecular Weight

349.13

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Sorivudine

Sorivudine is an organic molecular entity.

CAS Number	77181-69-2
PubChem CID	5282192
IUPAC Name	5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular Formula	C11H13BrN2O6
Molecular Weight	349.13
XLogP	-0.9
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	480

SMILES

C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)/C=C/Br

InChI

InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m1/s1

InChIKey

GCQYYIHYQMVWLT-HQNLTJAPSA-N

Chemical Structure

2D Structure

CAS: 77181-69-2

CID: 5282192

Formula: C11H13BrN2O6

MW: 349.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.13
XLogP3	-0.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	347.99570
Monoisotopic Mass	347.99570
Topological Polar Surface Area	119 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	480
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-123032-01	Sorivudine