boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol

C5H13BO8 — CID 159526105

IUPACboric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol
SMILESC[C@@]1(O)OC[C@H](O)C1(O)O.OB(O)O
InChIInChI=1S/C5H10O5.BH3O3/c1-4(7)5(8,9)3(6)2-10-4;2-1(3)4/h3,6-9H,2H2,1H3;2-4H/t3-,4+;/m0./s1
InChIKeyMCKCOPHCFWFZJE-RFKZQXLXSA-N
MW211.96 g/mol
LogP-4.28
Rot. Bonds

About boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol

boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol (PubChem CID 159526105) has the molecular formula C5H13BO8 and a molecular weight of 211.96 g/mol. Its IUPAC name is boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol.

Molecular Properties

Compound Nameboric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol
PubChem CID159526105
Molecular FormulaC5H13BO8
Molecular Weight211.96 g/mol
Exact Mass212.07
IUPAC Nameboric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol
SMILESC[C@@]1(O)OC[C@H](O)C1(O)O.OB(O)O
InChIInChI=1S/C5H10O5.BH3O3/c1-4(7)5(8,9)3(6)2-10-4;2-1(3)4/h3,6-9H,2H2,1H3;2-4H/t3-,4+;/m0./s1
InChIKeyMCKCOPHCFWFZJE-RFKZQXLXSA-N
XLogP-4.28
TPSA150.84 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.96
LogP ≤ 5-4.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
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CID 148927647
sodium;boric acid;cyclopropane-1,1,2-triol;hydride
CID 175177943
(3S)-2-methyloxolane-2,3-diol
CID 134855830
(3R,3aR,6S,6aR)-3a,6a-dimethyl-6-piperidin-4-yloxy-2,3,5,6-tetrahydrofuro[3,2-b]furan-3-ol
CID 90086532
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
CID 102453556
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(3S,4S)-3,4-dihydroxy-3-methyloxolan-2-one
CID 10997077
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(1S,3S,5S,6R,9R)-6,9-dimethyl-7-oxatricyclo[4.3.0.03,9]nonane-1,5-diol
CID 139124142
2,2-dimethyl-1,3-dioxolan-4-ol;methanol
CID 70486322

Frequently Asked Questions

What is the IUPAC name of boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol?
The IUPAC name of boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol (CID 159526105) is boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol.
What is the SMILES notation for boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol?
The canonical SMILES for boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol is C[C@@]1(O)OC[C@H](O)C1(O)O.OB(O)O.
What is the InChIKey of boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol?
The InChIKey is MCKCOPHCFWFZJE-RFKZQXLXSA-N. The full InChI is InChI=1S/C5H10O5.BH3O3/c1-4(7)5(8,9)3(6)2-10-4;2-1(3)4/h3,6-9H,2H2,1H3;2-4H/t3-,4+;/m0./s1.
What are the key properties of boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol?
boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol has a molecular weight of 211.96 g/mol, XLogP of -4.28, 0 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;(2R,4S)-2-methyloxolane-2,3,3,4-tetrol is sourced from PubChem (CID 159526105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).