(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol

C8H14O5 — CID 145429784

IUPAC(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol
SMILESC[C@@H]1OC2(CC2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-3-5(10)6(11)7(12)8(13-3)2-4(8)9/h3-7,9-12H,2H2,1H3/t3-,4?,5-,6+,7+,8?/m0/s1
InChIKeyYSZKPISCJYHDMV-RJQZSAGSSA-N
MW190.19 g/mol
LogP-2.01
Rot. Bonds

About (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol

(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol (PubChem CID 145429784) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol.

Molecular Properties

Compound Name(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol
PubChem CID145429784
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol
SMILESC[C@@H]1OC2(CC2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-3-5(10)6(11)7(12)8(13-3)2-4(8)9/h3-7,9-12H,2H2,1H3/t3-,4?,5-,6+,7+,8?/m0/s1
InChIKeyYSZKPISCJYHDMV-RJQZSAGSSA-N
XLogP-2.01
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol?
The IUPAC name of (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol (CID 145429784) is (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol.
What is the SMILES notation for (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol?
The canonical SMILES for (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol is C[C@@H]1OC2(CC2O)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol?
The InChIKey is YSZKPISCJYHDMV-RJQZSAGSSA-N. The full InChI is InChI=1S/C8H14O5/c1-3-5(10)6(11)7(12)8(13-3)2-4(8)9/h3-7,9-12H,2H2,1H3/t3-,4?,5-,6+,7+,8?/m0/s1.
What are the key properties of (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol?
(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol has a molecular weight of 190.19 g/mol, XLogP of -2.01, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol is sourced from PubChem (CID 145429784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).