(2R,3R)-butane-1,2,3-triol

C4H10O3 — CID 6398419

IUPAC(2R,3R)-butane-1,2,3-triol
SMILESC[C@@H](O)[C@H](O)CO
InChIInChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3/t3-,4-/m1/s1
InChIKeyYAXKTBLXMTYWDQ-QWWZWVQMSA-N
MW106.12 g/mol
LogP-1.28
Rot. Bonds2

About (2R,3R)-butane-1,2,3-triol

(2R,3R)-butane-1,2,3-triol (PubChem CID 6398419) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is (2R,3R)-butane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-butane-1,2,3-triol
PubChem CID6398419
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name(2R,3R)-butane-1,2,3-triol
SMILESC[C@@H](O)[C@H](O)CO
InChIInChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3/t3-,4-/m1/s1
InChIKeyYAXKTBLXMTYWDQ-QWWZWVQMSA-N
XLogP-1.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-pentane-1,2,3,4-tetrol
CID 89370817
butane-1,2,3-triol;hexane-1,2,4-triol
CID 87997487
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
bis((2R,3R)-butane-1,2,3,4-tetrol);1-sulfanylethanol
CID 161456248
3-methylbutane-1,2-diol;propane
CID 87383548
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
propane-1,2-diol
CID 23506506
(2S,3R)-3-propan-2-ylbutane-1,2,4-triol
CID 10558771
4-methylhexane-1,2,3,5,6-pentol
CID 157441175
3,4-dimethylpentane-1,2,5-triol
CID 91805402
butane;butane-1,2,3,4-tetrol
CID 155273073
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-butane-1,2,3-triol?
The IUPAC name of (2R,3R)-butane-1,2,3-triol (CID 6398419) is (2R,3R)-butane-1,2,3-triol.
What is the SMILES notation for (2R,3R)-butane-1,2,3-triol?
The canonical SMILES for (2R,3R)-butane-1,2,3-triol is C[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-butane-1,2,3-triol?
The InChIKey is YAXKTBLXMTYWDQ-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-butane-1,2,3-triol?
(2R,3R)-butane-1,2,3-triol has a molecular weight of 106.12 g/mol, XLogP of -1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-butane-1,2,3-triol is sourced from PubChem (CID 6398419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).