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89-67-8 | (3R,4S,5R);-3,4-Dihydroxy-5-((1S,2R);-1,2,3-trihydroxypropyl);dihydrofuran-2(3H);-one
CAS No: 89-67-8 Catalog No: AG0043H8 MDL No:MFCD00005390
Product Description
Catalog Number:
AG0043H8
Chemical Name:
(3R,4S,5R);-3,4-Dihydroxy-5-((1S,2R);-1,2,3-trihydroxypropyl);dihydrofuran-2(3H);-one
CAS Number:
89-67-8
Molecular Formula:
C7H12O7
Molecular Weight:
208.1660
MDL Number:
MFCD00005390
IUPAC Name:
(3R,4S,5S)-3,4-dihydroxy-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolan-2-one
InChI:
InChI=1S/C7H12O7/c8-1-2(9)3(10)6-4(11)5(12)7(13)14-6/h2-6,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChI Key:
VIVCRCODGMFTFY-DVKNGEFBSA-N
SMILES:
OC[C@H]([C@@H]([C@H]1OC(=O)[C@@H]([C@@H]1O)O)O)O
EC Number:
201-929-6
UNII:
LCV668569W
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
208.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
208.166g/mol
Monoisotopic Mass:
208.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
Literature
| Title | Journal |
|---|---|
| Synthesis of polyhydroxy amino acids based on D- and L-alanine from D-glycero-D-gulo-heptono-1,4-lactone. | Carbohydrate research 20060724 |
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