3'-epi-idoxuridine

CAT: 0926-NE16543-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-NE16543-01Size:2 mg

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CAS Number

93780-25-7

Synonyms

1- (2-Deoxy-b-D-threo-pentofuranosyl) -5-iodo-2,4 (1H,3H) -pyrimidinedione;1- (2-Deoxy-b-D-threo-pentofuranosyl) -5-iodouracil

Smiles

C1[C@@H] (O[C@@H] (C1O) CO) N2C=C (C (=O) NC2=O) I

Molecular Formula

C9H11IN2O5

Molecular Weight

354.1 g/mol

Controlled

Chemical Information

1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione

1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione is a pyrimidine 2'-deoxyribonucleoside.

CAS Number	93780-25-7
PubChem CID	6419973
IUPAC Name	1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Molecular Formula	C9H11IN2O5
Molecular Weight	354.10
XLogP	-1
Topological Polar Surface Area	99.1
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[C@@H](O[C@@H](C1O)CO)N2C=C(C(=O)NC2=O)I

InChI

InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5?,6-,7-/m1/s1

InChIKey

XQFRJNBWHJMXHO-JXBXZBNISA-N

Chemical Structure

2D Structure

CAS: 93780-25-7

CID: 6419973

Formula: C9H11IN2O5

MW: 354.10

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	354.10
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	353.97127
Monoisotopic Mass	353.97127
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes