(2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol

C14H18O8 — CID 175064616

IUPAC(2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol
SMILESO[C@@H]1[C@@H](O)[C@H](O)O[C@H](COCc2ccc3c(c2)OCO3)[C@H]1O
InChIInChI=1S/C14H18O8/c15-11-10(22-14(18)13(17)12(11)16)5-19-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,10-18H,4-6H2/t10-,11-,12+,13-,14-/m1/s1
InChIKeyMXHWSONMFTUDLZ-RKQHYHRCSA-N
MW314.29 g/mol
LogP-1.27
Rot. Bonds4

About (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol

(2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 175064616) has the molecular formula C14H18O8 and a molecular weight of 314.29 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol
PubChem CID175064616
Molecular FormulaC14H18O8
Molecular Weight314.29 g/mol
Exact Mass314.10
IUPAC Name(2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol
SMILESO[C@@H]1[C@@H](O)[C@H](O)O[C@H](COCc2ccc3c(c2)OCO3)[C@H]1O
InChIInChI=1S/C14H18O8/c15-11-10(22-14(18)13(17)12(11)16)5-19-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,10-18H,4-6H2/t10-,11-,12+,13-,14-/m1/s1
InChIKeyMXHWSONMFTUDLZ-RKQHYHRCSA-N
XLogP-1.27
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol (CID 175064616) is (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol is O[C@@H]1[C@@H](O)[C@H](O)O[C@H](COCc2ccc3c(c2)OCO3)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is MXHWSONMFTUDLZ-RKQHYHRCSA-N. The full InChI is InChI=1S/C14H18O8/c15-11-10(22-14(18)13(17)12(11)16)5-19-4-7-1-2-8-9(3-7)21-6-20-8/h1-3,10-18H,4-6H2/t10-,11-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol?
(2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 314.29 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-6-(1,3-benzodioxol-5-ylmethoxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 175064616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).