(3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol

C12H22O6 — CID 70789259

IUPAC(3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol
SMILESOC[C@@]1(O)CC[C@@H]([C@@H]2CC[C@](O)(CO)CO2)OC1
InChIInChI=1S/C12H22O6/c13-5-11(15)3-1-9(17-7-11)10-2-4-12(16,6-14)8-18-10/h9-10,13-16H,1-8H2/t9-,10-,11-,12-/m0/s1
InChIKeyFJMBBGDZFKPKCM-BJDJZHNGSA-N
MW262.30 g/mol
LogP-1.21
Rot. Bonds3

About (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol

(3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol (PubChem CID 70789259) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol
PubChem CID70789259
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name(3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol
SMILESOC[C@@]1(O)CC[C@@H]([C@@H]2CC[C@](O)(CO)CO2)OC1
InChIInChI=1S/C12H22O6/c13-5-11(15)3-1-9(17-7-11)10-2-4-12(16,6-14)8-18-10/h9-10,13-16H,1-8H2/t9-,10-,11-,12-/m0/s1
InChIKeyFJMBBGDZFKPKCM-BJDJZHNGSA-N
XLogP-1.21
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol?
The IUPAC name of (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol (CID 70789259) is (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol.
What is the SMILES notation for (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol?
The canonical SMILES for (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol is OC[C@@]1(O)CC[C@@H]([C@@H]2CC[C@](O)(CO)CO2)OC1.
What is the InChIKey of (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol?
The InChIKey is FJMBBGDZFKPKCM-BJDJZHNGSA-N. The full InChI is InChI=1S/C12H22O6/c13-5-11(15)3-1-9(17-7-11)10-2-4-12(16,6-14)8-18-10/h9-10,13-16H,1-8H2/t9-,10-,11-,12-/m0/s1.
What are the key properties of (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol?
(3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol has a molecular weight of 262.30 g/mol, XLogP of -1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-[(2S,5S)-5-hydroxy-5-(hydroxymethyl)oxan-2-yl]-3-(hydroxymethyl)oxan-3-ol is sourced from PubChem (CID 70789259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).