(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol

C7H14O6 — CID 56657680

IUPAC(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
SMILESCOC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c1-12-3-7(11)6(10)5(9)4(8)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1
InChIKeyRPSBSNVSOQMUMB-JRTVQGFMSA-N
MW194.18 g/mol
LogP-2.57
Rot. Bonds2

About (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol

(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 56657680) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
PubChem CID56657680
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
SMILESCOC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c1-12-3-7(11)6(10)5(9)4(8)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1
InChIKeyRPSBSNVSOQMUMB-JRTVQGFMSA-N
XLogP-2.57
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol (CID 56657680) is (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol is COC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is RPSBSNVSOQMUMB-JRTVQGFMSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-3-7(11)6(10)5(9)4(8)2-13-7/h4-6,8-11H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol?
(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 194.18 g/mol, XLogP of -2.57, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 56657680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).