(2S,3R)-2,3-dimethoxybutane-1,4-diol

C6H14O4 — CID 119097957

IUPAC(2S,3R)-2,3-dimethoxybutane-1,4-diol
SMILESCO[C@@H](CO)[C@@H](CO)OC
InChIInChI=1S/C6H14O4/c1-9-5(3-7)6(4-8)10-2/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKeyNGYWQOYLCHMYOO-OLQVQODUSA-N
MW150.17 g/mol
LogP-1.00
Rot. Bonds5

About (2S,3R)-2,3-dimethoxybutane-1,4-diol

(2S,3R)-2,3-dimethoxybutane-1,4-diol (PubChem CID 119097957) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethoxybutane-1,4-diol.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethoxybutane-1,4-diol
PubChem CID119097957
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(2S,3R)-2,3-dimethoxybutane-1,4-diol
SMILESCO[C@@H](CO)[C@@H](CO)OC
InChIInChI=1S/C6H14O4/c1-9-5(3-7)6(4-8)10-2/h5-8H,3-4H2,1-2H3/t5-,6+
InChIKeyNGYWQOYLCHMYOO-OLQVQODUSA-N
XLogP-1.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2,3-dimethoxybutan-1-ol
CID 130624159
(4-hydroxy-2,3-dimethoxybutyl)-iodomercury
CID 6102046
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
2,3,4-trimethoxyhexane-1,5-diol
CID 71440340
5-hydroxy-2,3,4-trimethoxypentanal
CID 14194048
(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
CID 134878459
(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695
4-methoxyhexane-1,2,5-triol
CID 18427201
2-chloro-3-methoxybutane-1,4-diol;3-chloropropan-1-ol
CID 88769479
(2R)-3-hydroxy-2-methoxypropanoic acid
CID 20849197
(2S,3R,5S)-3,5-dimethoxy-2-methylhexane-1,6-diol
CID 10845422
(2R,3R,5S)-3,5-dimethoxy-2-methylhexane-1,6-diol
CID 10559649

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethoxybutane-1,4-diol?
The IUPAC name of (2S,3R)-2,3-dimethoxybutane-1,4-diol (CID 119097957) is (2S,3R)-2,3-dimethoxybutane-1,4-diol.
What is the SMILES notation for (2S,3R)-2,3-dimethoxybutane-1,4-diol?
The canonical SMILES for (2S,3R)-2,3-dimethoxybutane-1,4-diol is CO[C@@H](CO)[C@@H](CO)OC.
What is the InChIKey of (2S,3R)-2,3-dimethoxybutane-1,4-diol?
The InChIKey is NGYWQOYLCHMYOO-OLQVQODUSA-N. The full InChI is InChI=1S/C6H14O4/c1-9-5(3-7)6(4-8)10-2/h5-8H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2S,3R)-2,3-dimethoxybutane-1,4-diol?
(2S,3R)-2,3-dimethoxybutane-1,4-diol has a molecular weight of 150.17 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethoxybutane-1,4-diol is sourced from PubChem (CID 119097957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).