L-Ascorbic acid-13C-2

CAT: 0127-OR1037114Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1037114Size:1 Each

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CAS Number

1313730-17-4

Purity

98%

Smiles

O[13C]([C@H](O1)[C@H](CO)O)=C(O)C1=O

Chemical Information

L-Ascorbic acid-13C-2

CAS Number	1313730-17-4
PubChem CID	71309903
IUPAC Name	(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-(313C)2H-furan-5-one
Molecular Formula	C6H8O6
Molecular Weight	177.12
XLogP	-1.6
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	232

SMILES

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

InChI

InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1/i3+1

InChIKey

CIWBSHSKHKDKBQ-VZMNSLOISA-N

Chemical Structure

2D Structure

CAS: 1313730-17-4

CID: 71309903

Formula: C6H8O6

MW: 177.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.12
XLogP3	-1.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	177.03544281
Monoisotopic Mass	177.03544281
Topological Polar Surface Area	107 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	232
Isotope Atom Count	1
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1037125	L-Ascorbic acid-13C
OR1039759	L-Ascorbic acid-13C6
BUP19232-01	L-Ascorbic acid
BIA0602-01	L-Ascorbic acid
BUP20521	L-Ascorbic acid 2-phosphate
OR1075419	L-Ascorbic acid-13C6-1
BUP18850-01	L-Ascorbic acid 2-phosphate trisodium
BUP18778-01	L-Ascorbic acid 2-phosphate magnesium
BUP18276-01	L-Ascorbic acid sodium salt
OR1043293-01	L-Ascorbic acid 6-stearate