(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol

C13H24O6 — CID 70898410

IUPAC(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
SMILESCC1O[C@@H](C)CC(O[C@H]2CC(O)[C@H](O)C(C)O2)[C@@H]1O
InChIInChI=1S/C13H24O6/c1-6-4-10(13(16)8(3)17-6)19-11-5-9(14)12(15)7(2)18-11/h6-16H,4-5H2,1-3H3/t6-,7?,8?,9?,10?,11-,12+,13+/m0/s1
InChIKeyWUSYRZKWSNXNAY-BVMKWYCDSA-N
MW276.33 g/mol
LogP-0.21
Rot. Bonds2

About (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol

(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol (PubChem CID 70898410) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
PubChem CID70898410
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
SMILESCC1O[C@@H](C)CC(O[C@H]2CC(O)[C@H](O)C(C)O2)[C@@H]1O
InChIInChI=1S/C13H24O6/c1-6-4-10(13(16)8(3)17-6)19-11-5-9(14)12(15)7(2)18-11/h6-16H,4-5H2,1-3H3/t6-,7?,8?,9?,10?,11-,12+,13+/m0/s1
InChIKeyWUSYRZKWSNXNAY-BVMKWYCDSA-N
XLogP-0.21
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol?
The IUPAC name of (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol (CID 70898410) is (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol?
The canonical SMILES for (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol is CC1O[C@@H](C)CC(O[C@H]2CC(O)[C@H](O)C(C)O2)[C@@H]1O.
What is the InChIKey of (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol?
The InChIKey is WUSYRZKWSNXNAY-BVMKWYCDSA-N. The full InChI is InChI=1S/C13H24O6/c1-6-4-10(13(16)8(3)17-6)19-11-5-9(14)12(15)7(2)18-11/h6-16H,4-5H2,1-3H3/t6-,7?,8?,9?,10?,11-,12+,13+/m0/s1.
What are the key properties of (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol?
(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol has a molecular weight of 276.33 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 70898410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).