(3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol

C10H20O6 — CID 70916039

IUPAC(3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol
SMILESCC1O[C@@H](OC[C@H](O)C(C)O)CC(O)[C@H]1O
InChIInChI=1S/C10H20O6/c1-5(11)8(13)4-15-9-3-7(12)10(14)6(2)16-9/h5-14H,3-4H2,1-2H3/t5?,6?,7?,8-,9+,10-/m0/s1
InChIKeyJYZZVNUZVRAGQA-BCZNCISJSA-N
MW236.26 g/mol
LogP-1.40
Rot. Bonds4

About (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol

(3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol (PubChem CID 70916039) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol
PubChem CID70916039
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol
SMILESCC1O[C@@H](OC[C@H](O)C(C)O)CC(O)[C@H]1O
InChIInChI=1S/C10H20O6/c1-5(11)8(13)4-15-9-3-7(12)10(14)6(2)16-9/h5-14H,3-4H2,1-2H3/t5?,6?,7?,8-,9+,10-/m0/s1
InChIKeyJYZZVNUZVRAGQA-BCZNCISJSA-N
XLogP-1.40
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 ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
CID 163002140
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl] hypofluorite
CID 67929975
6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
CID 162710756
(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol
CID 24859094
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
(3S,6R)-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 71098378
(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 70898410
(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 91848517
methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol
CID 145382668

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol?
The IUPAC name of (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol (CID 70916039) is (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol.
What is the SMILES notation for (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol?
The canonical SMILES for (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol is CC1O[C@@H](OC[C@H](O)C(C)O)CC(O)[C@H]1O.
What is the InChIKey of (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol?
The InChIKey is JYZZVNUZVRAGQA-BCZNCISJSA-N. The full InChI is InChI=1S/C10H20O6/c1-5(11)8(13)4-15-9-3-7(12)10(14)6(2)16-9/h5-14H,3-4H2,1-2H3/t5?,6?,7?,8-,9+,10-/m0/s1.
What are the key properties of (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol?
(3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol has a molecular weight of 236.26 g/mol, XLogP of -1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol is sourced from PubChem (CID 70916039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).