(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol

C8H20O4 — CID 161487042

IUPAC(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
SMILESC[C@@H](O)[C@@H](C)O.C[C@H](O)[C@@H](C)O
InChIInChI=1S/2C4H10O2/c2*1-3(5)4(2)6/h2*3-6H,1-2H3/t3-,4+;3-,4-/m.1/s1
InChIKeyWFCLHMCZUVCIHV-NBSXXGRVSA-N
MW180.24 g/mol
LogP-0.50
Rot. Bonds2

About (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol

(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol (PubChem CID 161487042) has the molecular formula C8H20O4 and a molecular weight of 180.24 g/mol. Its IUPAC name is (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
PubChem CID161487042
Molecular FormulaC8H20O4
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
SMILESC[C@@H](O)[C@@H](C)O.C[C@H](O)[C@@H](C)O
InChIInChI=1S/2C4H10O2/c2*1-3(5)4(2)6/h2*3-6H,1-2H3/t3-,4+;3-,4-/m.1/s1
InChIKeyWFCLHMCZUVCIHV-NBSXXGRVSA-N
XLogP-0.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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heptane-2,3,4,5,6-pentol
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CID 175326578

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol?
The IUPAC name of (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol (CID 161487042) is (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol.
What is the SMILES notation for (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol?
The canonical SMILES for (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol is C[C@@H](O)[C@@H](C)O.C[C@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol?
The InChIKey is WFCLHMCZUVCIHV-NBSXXGRVSA-N. The full InChI is InChI=1S/2C4H10O2/c2*1-3(5)4(2)6/h2*3-6H,1-2H3/t3-,4+;3-,4-/m.1/s1.
What are the key properties of (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol?
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol has a molecular weight of 180.24 g/mol, XLogP of -0.50, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol is sourced from PubChem (CID 161487042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).