Ascorbic Acid Impurity 25

CAT: 1299-RM-A190225-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A190225-01Size:10 mg

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CAS Number

492-30-8

Synonyms

(3R,4R,5R) -3,4-dihydroxy-5- (hydroxymethyl) -3-methyldihydrofuran-2 (3H) -one

Molecular Formula

C6H10O5

Molecular Weight

162.14

Target Alternative Name

Ascorbic Acid

Product Name Synonym

(3R,4R,5R) -3,4-dihydroxy-5- (hydroxymethyl) -3-methyldihydrofuran-2 (3H) -one

Chemical Information

2-C-Methyl-D-ribono-1,4-lactone

CAS Number	492-30-8
PubChem CID	11805069
IUPAC Name	(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
Molecular Formula	C6H10O5
Molecular Weight	162.14
XLogP	-1.2
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	180

SMILES

C[C@]1([C@@H]([C@H](OC1=O)CO)O)O

InChI

InChI=1S/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3/t3-,4-,6-/m1/s1

InChIKey

WJBVKNHJSHYNHO-ZMIZWQJLSA-N

Chemical Structure

2D Structure

CAS: 492-30-8

CID: 11805069

Formula: C6H10O5

MW: 162.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.14
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	162.05282342
Monoisotopic Mass	162.05282342
Topological Polar Surface Area	87 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	180
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