(2S)-butane-1,2,4-triol

C4H10O3 — CID 640997

IUPAC(2S)-butane-1,2,4-triol
SMILESOCC[C@H](O)CO
InChIInChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
InChIKeyARXKVVRQIIOZGF-BYPYZUCNSA-N
MW106.12 g/mol
LogP-1.28
Rot. Bonds3

About (2S)-butane-1,2,4-triol

(2S)-butane-1,2,4-triol (PubChem CID 640997) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is (2S)-butane-1,2,4-triol.

Molecular Properties

Compound Name(2S)-butane-1,2,4-triol
PubChem CID640997
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name(2S)-butane-1,2,4-triol
SMILESOCC[C@H](O)CO
InChIInChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
InChIKeyARXKVVRQIIOZGF-BYPYZUCNSA-N
XLogP-1.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

Glycerol
CID 753
Erythritol
CID 222285
D-Arabitol
CID 94154
D-Threitol
CID 169019
(2S,4R)-Pentane-1,2,3,4,5-Pentol
CID 6912
1,2-Butanediol
CID 11429
L-Arabitol
CID 439255
1,2,4-Butanetriol
CID 18302
l-Threitol
CID 445969
Butane-1,2,3,4-Tetrol
CID 8998
2,3-Pentanediol
CID 123505
1,2,3-Butanetriol
CID 20497

Frequently Asked Questions

What is the IUPAC name of (2S)-butane-1,2,4-triol?
The IUPAC name of (2S)-butane-1,2,4-triol (CID 640997) is (2S)-butane-1,2,4-triol.
What is the SMILES notation for (2S)-butane-1,2,4-triol?
The canonical SMILES for (2S)-butane-1,2,4-triol is OCC[C@H](O)CO.
What is the InChIKey of (2S)-butane-1,2,4-triol?
The InChIKey is ARXKVVRQIIOZGF-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-butane-1,2,4-triol?
(2S)-butane-1,2,4-triol has a molecular weight of 106.12 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-butane-1,2,4-triol is sourced from PubChem (CID 640997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).