5-Deoxy-D-xylose

CAT: 0926-MD160941-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-MD160941-01Size:100 mg

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CAS Number

13039-77-5

Smiles

C[C@H] ([C@@H] ([C@H] (C=O) O) O) O

Molecular Formula

C5H10O4

Molecular Weight

134.13 g/mol

Controlled

Chemical Information

5-Deoxy-D-xylose

CAS Number	13039-77-5
PubChem CID	88414315
IUPAC Name	(2R,3S,4R)-2,3,4-trihydroxypentanal
Molecular Formula	C5H10O4
Molecular Weight	134.13
XLogP	-1.3
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	93

SMILES

C[C@H]([C@@H]([C@H](C=O)O)O)O

InChI

InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h2-5,7-9H,1H3/t3-,4+,5+/m1/s1

InChIKey

WDRISBUVHBMJEF-WISUUJSJSA-N

Chemical Structure

2D Structure

CAS: 13039-77-5

CID: 88414315

Formula: C5H10O4

MW: 134.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.13
XLogP3	-1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	134.05790880
Monoisotopic Mass	134.05790880
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	93
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes