(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol

C10H20O4 — CID 118580383

IUPAC(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
SMILESCC(C)C[C@H]1OC(C)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C10H20O4/c1-5(2)4-7-9(12)10(13)8(11)6(3)14-7/h5-13H,4H2,1-3H3/t6?,7-,8-,9?,10+/m1/s1
InChIKeyFUXOOGQSHLYMBQ-IATJVFDQSA-N
MW204.27 g/mol
LogP-0.10
Rot. Bonds2

About (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol

(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol (PubChem CID 118580383) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
PubChem CID118580383
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
SMILESCC(C)C[C@H]1OC(C)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C10H20O4/c1-5(2)4-7-9(12)10(13)8(11)6(3)14-7/h5-13H,4H2,1-3H3/t6?,7-,8-,9?,10+/m1/s1
InChIKeyFUXOOGQSHLYMBQ-IATJVFDQSA-N
XLogP-0.10
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol
CID 59696974
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
2-methyl-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 59680726
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625
2-(3,4,5-trihydroxy-6-methyloxan-2-yl)acetaldehyde
CID 88533979
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol?
The IUPAC name of (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol (CID 118580383) is (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol.
What is the SMILES notation for (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol?
The canonical SMILES for (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol is CC(C)C[C@H]1OC(C)[C@@H](O)[C@H](O)C1O.
What is the InChIKey of (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol?
The InChIKey is FUXOOGQSHLYMBQ-IATJVFDQSA-N. The full InChI is InChI=1S/C10H20O4/c1-5(2)4-7-9(12)10(13)8(11)6(3)14-7/h5-13H,4H2,1-3H3/t6?,7-,8-,9?,10+/m1/s1.
What are the key properties of (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol?
(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol has a molecular weight of 204.27 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol is sourced from PubChem (CID 118580383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).