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

C11H22O5 — CID 153067799

IUPAC(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
SMILESCC(C)CCO[C@@H]1OC(C)[C@@H](O)C(O)C1O
InChIInChI=1S/C11H22O5/c1-6(2)4-5-15-11-10(14)9(13)8(12)7(3)16-11/h6-14H,4-5H2,1-3H3/t7?,8-,9?,10?,11-/m1/s1
InChIKeyVKSPZZLQMCZGDN-PBPDKXIHSA-N
MW234.29 g/mol
LogP-0.12
Rot. Bonds4

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

(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol (PubChem CID 153067799) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
PubChem CID153067799
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
SMILESCC(C)CCO[C@@H]1OC(C)[C@@H](O)C(O)C1O
InChIInChI=1S/C11H22O5/c1-6(2)4-5-15-11-10(14)9(13)8(12)7(3)16-11/h6-14H,4-5H2,1-3H3/t7?,8-,9?,10?,11-/m1/s1
InChIKeyVKSPZZLQMCZGDN-PBPDKXIHSA-N
XLogP-0.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol
CID 24859094
(2R,3S,4R,5S,6S)-2-(2-bromoethoxy)-6-methyloxane-3,4,5-triol
CID 129411527
(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyloxane-3,4,5-triol
CID 102133392
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 10848285
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
CID 90276853
(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol
CID 163622719
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
CID 158281712
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828
(2R,3S,4S,5S)-2-methyl-6-propan-2-yloxyoxane-3,4,5-triol
CID 171600108
(2S,3R,4R,5R,6S)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 134936569

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol?
The IUPAC name of (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol (CID 153067799) is (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol.
What is the SMILES notation for (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol?
The canonical SMILES for (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol is CC(C)CCO[C@@H]1OC(C)[C@@H](O)C(O)C1O.
What is the InChIKey of (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol?
The InChIKey is VKSPZZLQMCZGDN-PBPDKXIHSA-N. The full InChI is InChI=1S/C11H22O5/c1-6(2)4-5-15-11-10(14)9(13)8(12)7(3)16-11/h6-14H,4-5H2,1-3H3/t7?,8-,9?,10?,11-/m1/s1.
What are the key properties of (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol?
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol has a molecular weight of 234.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol is sourced from PubChem (CID 153067799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).