D-Apiose - Aqueous solution

CAT: 0926-MA00248-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-MA00248-01Size:50 mg

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CAS Number

639-97-4

Synonyms

3-C- (Hydroxymethyl) -D-glycero-tetrofuranose

MDL Number

MFCD08459679

Smiles

C (C (CO) (C (C=O) O) O) O

Molecular Formula

C5H10O5

Molecular Weight

150.13 g/mol

Controlled

Chemical Information

D-Apiose

D-apiose is a tetrose.

CAS Number	639-97-4
PubChem CID	5460157
IUPAC Name	(2R)-2,3,4-trihydroxy-3-(hydroxymethyl)butanal
Molecular Formula	C5H10O5
Molecular Weight	150.13
XLogP	-3.1
Topological Polar Surface Area	98
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	109

SMILES

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

InChI

InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m0/s1

InChIKey

AVGPOAXYRRIZMM-BYPYZUCNSA-N

Chemical Structure

2D Structure

CAS: 639-97-4

CID: 5460157

Formula: C5H10O5

MW: 150.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	150.13
XLogP3	-3.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	150.05282342
Monoisotopic Mass	150.05282342
Topological Polar Surface Area	98 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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D-Apiose - Aqueous solution

Chemical Information

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