(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol

C10H20O6 — CID 159586267

IUPAC(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
SMILESCC(C)CO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C10H20O6/c1-5(2)4-15-10-9(14)8(13)7(12)6(3-11)16-10/h5-14H,3-4H2,1-2H3/t6?,7-,8+,9?,10+/m1/s1
InChIKeyMJQQYLKJAGVSNG-CVXLIIGASA-N
MW236.26 g/mol
LogP-1.54
Rot. Bonds4

About (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol

(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol (PubChem CID 159586267) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
PubChem CID159586267
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
SMILESCC(C)CO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C10H20O6/c1-5(2)4-15-10-9(14)8(13)7(12)6(3-11)16-10/h5-14H,3-4H2,1-2H3/t6?,7-,8+,9?,10+/m1/s1
InChIKeyMJQQYLKJAGVSNG-CVXLIIGASA-N
XLogP-1.54
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 58429897
(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol
CID 123699386
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S)-2-hydroxypropoxy]oxane-3,4,5-triol
CID 175158371
(2S,4S,5S)-6-(hydroxymethyl)-2,5-bis(2-methylpropoxy)oxane-3,4-diol
CID 59745844
(2S,3R,4S,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10083634
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 10848285
(2R,3S,4R,5R,6S)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11959966
(2S,3R,4S,5R,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850365
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-propylpentoxy)oxane-3,4,5-triol
CID 57149142
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol?
The IUPAC name of (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol (CID 159586267) is (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol.
What is the SMILES notation for (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol?
The canonical SMILES for (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol is CC(C)CO[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O.
What is the InChIKey of (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol?
The InChIKey is MJQQYLKJAGVSNG-CVXLIIGASA-N. The full InChI is InChI=1S/C10H20O6/c1-5(2)4-15-10-9(14)8(13)7(12)6(3-11)16-10/h5-14H,3-4H2,1-2H3/t6?,7-,8+,9?,10+/m1/s1.
What are the key properties of (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol?
(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol has a molecular weight of 236.26 g/mol, XLogP of -1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol is sourced from PubChem (CID 159586267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).