Registration Dossier

General information

Inventory

EC number:
425-980-0
EC name:
-
CAS number:
-
Description:
ASCORBIC ACID 2-GLUCOSIDE

No inventory information available

Reference substance information

IUPAC name:
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-dihydrofuran-2-one
Synonyms
Names:
Identifier:
CAS number
129499-78-1
Identifier:
CAS number
not applicable
Identifier:
IUPAC name
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-dihydrofuran-2-one
Identifier:
IUPAC name
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-dihydrofuran-2-one
Identifier:
IUPAC name
L-Ascorbic acid 2-Glucoside
Identifier:
other: InChl
InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1
Identifier:
other: InChl
InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1
Identifier:
other: SMILES notation
[H][C@@]1(OC(=O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O)[C@@H](O)CO
L-Ascorbic acid 2-glucoside

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
129499-78-1
open allclose all
Identifier:
CAS number
Identity:
129499-78-1
Identifier:
IUPAC name
Identity:
L-Ascorbic acid 2-Glucoside
Identifier:
other: InChl
Identity:
InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1

Molecular and structural information

Molecular formula:
C12H18O11
Molecular weight:
338.265
SMILES notation:
C(C1C(C(C(C(O1)OC2=C(OC(C2=O)C(CO)O)O)O)O)O)O
InChl:
1/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-18,20H,1-2H2/t3-,4+,5+,6-,7+,9+,12+/m0/s1
Structural formula:
Chemical structure