U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H53NO23
Molecular Weight 807.7454
Optical Activity UNSPECIFIED
Defined Stereocenters 23 / 23
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACARBOSE IMPURITY F

SMILES

[H][C@]1(O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](C)[C@@H](N[C@@]4([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI

InChIKey=OKORDXFRERJOHW-WEEKXBANSA-N
InChI=1S/C31H53NO23/c1-8-15(32-10-2-9(3-33)16(40)20(44)17(10)41)19(43)23(47)29(50-8)54-27-13(6-36)52-31(25(49)22(27)46)55-28-14(7-37)51-30(24(48)21(28)45)53-26(12(39)5-35)18(42)11(38)4-34/h2,4,8,10-33,35-49H,3,5-7H2,1H3/t8-,10+,11+,12-,13-,14-,15-,16-,17+,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H53NO23
Molecular Weight 807.7454
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 23 / 23
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:31:12 GMT 2023
Edited
by admin
on Sat Dec 16 14:31:12 GMT 2023
Record UNII
K48LU8EVD5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACARBOSE IMPURITY F
Common Name English
ACARBOSE IMPURITY F [EP IMPURITY]
Common Name English
ACARBOSE IMPURITY F [USP IMPURITY]
Common Name English
D-GLUCOSE, O-4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-
Systematic Name English
O-4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-ENYL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-D-GLUCOPYRANOSE (4-O-.ALPHA.-ACARBOSYL-D-GLUCOPYRANOSE)
Systematic Name English
Code System Code Type Description
CAS
83116-09-0
Created by admin on Sat Dec 16 14:31:13 GMT 2023 , Edited by admin on Sat Dec 16 14:31:13 GMT 2023
PRIMARY
FDA UNII
K48LU8EVD5
Created by admin on Sat Dec 16 14:31:13 GMT 2023 , Edited by admin on Sat Dec 16 14:31:13 GMT 2023
PRIMARY
PUBCHEM
131885658
Created by admin on Sat Dec 16 14:31:13 GMT 2023 , Edited by admin on Sat Dec 16 14:31:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
Ph.Eur.; USP