(4R)-1-methoxypentane-2,3,4-triol

C6H14O4 — CID 174089991

IUPAC(4R)-1-methoxypentane-2,3,4-triol
SMILESCOCC(O)C(O)[C@@H](C)O
InChIInChI=1S/C6H14O4/c1-4(7)6(9)5(8)3-10-2/h4-9H,3H2,1-2H3/t4-,5?,6?/m1/s1
InChIKeyXRNVOOAAWLYRMJ-IISSFJTQSA-N
MW150.17 g/mol
LogP-1.26
Rot. Bonds4

About (4R)-1-methoxypentane-2,3,4-triol

(4R)-1-methoxypentane-2,3,4-triol (PubChem CID 174089991) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is (4R)-1-methoxypentane-2,3,4-triol.

Molecular Properties

Compound Name(4R)-1-methoxypentane-2,3,4-triol
PubChem CID174089991
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name(4R)-1-methoxypentane-2,3,4-triol
SMILESCOCC(O)C(O)[C@@H](C)O
InChIInChI=1S/C6H14O4/c1-4(7)6(9)5(8)3-10-2/h4-9H,3H2,1-2H3/t4-,5?,6?/m1/s1
InChIKeyXRNVOOAAWLYRMJ-IISSFJTQSA-N
XLogP-1.26
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
1,1-diamino-3-methoxypropan-2-ol
CID 126732231
1-methoxypropan-2-ol chloride
CID 23303898
(2S,3S,4R)-hexane-2,3,4-triol
CID 91758700
(3R,4R)-pentane-1,2,3,4-tetrol
CID 89370817
1-(2-methoxyethoxy)butane-2,3-diol
CID 87403280
3-ethyl-1-methoxypentan-2-ol
CID 79568083
1-methoxypropan-2-ol;propane
CID 159966080
2,3,4,5-tetrahydroxyhexyl nitrite
CID 163783121
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphite
CID 126739900
3,4-dihydroxy-5-methoxypentan-2-one
CID 126497812

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methoxypentane-2,3,4-triol?
The IUPAC name of (4R)-1-methoxypentane-2,3,4-triol (CID 174089991) is (4R)-1-methoxypentane-2,3,4-triol.
What is the SMILES notation for (4R)-1-methoxypentane-2,3,4-triol?
The canonical SMILES for (4R)-1-methoxypentane-2,3,4-triol is COCC(O)C(O)[C@@H](C)O.
What is the InChIKey of (4R)-1-methoxypentane-2,3,4-triol?
The InChIKey is XRNVOOAAWLYRMJ-IISSFJTQSA-N. The full InChI is InChI=1S/C6H14O4/c1-4(7)6(9)5(8)3-10-2/h4-9H,3H2,1-2H3/t4-,5?,6?/m1/s1.
What are the key properties of (4R)-1-methoxypentane-2,3,4-triol?
(4R)-1-methoxypentane-2,3,4-triol has a molecular weight of 150.17 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methoxypentane-2,3,4-triol is sourced from PubChem (CID 174089991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).