(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol

C12H22O5 — CID 11207339

IUPAC(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CO)O2)O1
InChIInChI=1S/C12H22O5/c1-11(2)15-7-10(17-11)12(3)5-4-8(14)9(6-13)16-12/h8-10,13-14H,4-7H2,1-3H3/t8-,9+,10+,12-/m0/s1
InChIKeyBYOQUJGOCUJQGN-XNDJQWLSSA-N
MW246.30 g/mol
LogP0.43
Rot. Bonds2

About (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol

(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol (PubChem CID 11207339) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol
PubChem CID11207339
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CO)O2)O1
InChIInChI=1S/C12H22O5/c1-11(2)15-7-10(17-11)12(3)5-4-8(14)9(6-13)16-12/h8-10,13-14H,4-7H2,1-3H3/t8-,9+,10+,12-/m0/s1
InChIKeyBYOQUJGOCUJQGN-XNDJQWLSSA-N
XLogP0.43
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol?
The IUPAC name of (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol (CID 11207339) is (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol?
The canonical SMILES for (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol is CC1(C)OC[C@H]([C@]2(C)CC[C@H](O)[C@@H](CO)O2)O1.
What is the InChIKey of (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol?
The InChIKey is BYOQUJGOCUJQGN-XNDJQWLSSA-N. The full InChI is InChI=1S/C12H22O5/c1-11(2)15-7-10(17-11)12(3)5-4-8(14)9(6-13)16-12/h8-10,13-14H,4-7H2,1-3H3/t8-,9+,10+,12-/m0/s1.
What are the key properties of (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol?
(2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol has a molecular weight of 246.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-6-methyloxan-3-ol is sourced from PubChem (CID 11207339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).