The Biofilms Structural Database
Name
3A-methyl-5,6-dihydro-furo[2,3-D][1,3,2]dioxaborole-2,2,6,6A-tetraol
Molecular Weight
192.94
Isomeric SMILES
C[C@]12OC[C@H](O)[C@@]1(O)O[B-](O)(O)O2
Formula
C5H10BO7
Identifiers
(1S,4S,5R)-7,7-dihydroxy-1-methyl-2,6,8-trioxa-7-boranuidabicyclo[3.3.0]octane-4,5-diol
Formal Charge
-1
InChI
InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1
Atom Count
23
InChIKey
ACKRRKSNOOISSG-VPENINKCSA-N
PDB codes
1JX6, 2HJ9
Type
Non-polymer
Chiral Atom Count
3
Chiral Atoms
C4, C7, C8
Bond Count
24
Aromatic Bond Count
0
Leaving Atoms
n/a