(2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol

C10H18O5 — CID 153198364

IUPAC(2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol
SMILESC[C@@H]1C[C@@](C)(O)OC([C@H]2COCO2)[C@@H]1O
InChIInChI=1S/C10H18O5/c1-6-3-10(2,12)15-9(8(6)11)7-4-13-5-14-7/h6-9,11-12H,3-5H2,1-2H3/t6-,7-,8-,9?,10+/m1/s1
InChIKeyQWRKUHXJOVZCMT-XJLOYYFOSA-N
MW218.25 g/mol
LogP-0.15
Rot. Bonds1

About (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol

(2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol (PubChem CID 153198364) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol.

Molecular Properties

Compound Name(2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol
PubChem CID153198364
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol
SMILESC[C@@H]1C[C@@](C)(O)OC([C@H]2COCO2)[C@@H]1O
InChIInChI=1S/C10H18O5/c1-6-3-10(2,12)15-9(8(6)11)7-4-13-5-14-7/h6-9,11-12H,3-5H2,1-2H3/t6-,7-,8-,9?,10+/m1/s1
InChIKeyQWRKUHXJOVZCMT-XJLOYYFOSA-N
XLogP-0.15
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol?
The IUPAC name of (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol (CID 153198364) is (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol.
What is the SMILES notation for (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol?
The canonical SMILES for (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol is C[C@@H]1C[C@@](C)(O)OC([C@H]2COCO2)[C@@H]1O.
What is the InChIKey of (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol?
The InChIKey is QWRKUHXJOVZCMT-XJLOYYFOSA-N. The full InChI is InChI=1S/C10H18O5/c1-6-3-10(2,12)15-9(8(6)11)7-4-13-5-14-7/h6-9,11-12H,3-5H2,1-2H3/t6-,7-,8-,9?,10+/m1/s1.
What are the key properties of (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol?
(2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol has a molecular weight of 218.25 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxane-2,5-diol is sourced from PubChem (CID 153198364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).