D-[4-13C]threose

CAT: 0024-sc-294199ASize: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-294199ASize:500 mg

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CAS Number

90913-09-0

Chemical Information

D-[4-13C]Threose

CAS Number	90913-09-0
PubChem CID	90478203
IUPAC Name	(3S,4R)-(513C)oxolane-2,3,4-triol
Molecular Formula	C4H8O4
Molecular Weight	121.10
XLogP	-1.9
Topological Polar Surface Area	69.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	84

SMILES

[13CH2]1[C@H]([C@@H](C(O1)O)O)O

InChI

InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3+,4?/m1/s1/i1+1

InChIKey

FMAORJIQYMIRHF-FKHXTLJASA-N

Chemical Structure

2D Structure

CAS: 90913-09-0

CID: 90478203

Formula: C4H8O4

MW: 121.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.10
XLogP3	-1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	121.04561357
Monoisotopic Mass	121.04561357
Topological Polar Surface Area	69.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84.1
Isotope Atom Count	1
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