(3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one

C14H24O5 — CID 102161309

IUPAC(3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one
SMILESC[C@@H]1[C@@H](OC[C@H]2[C@H](C)C(=O)O[C@@H]2C)O[C@H](C)[C@H]1CO
InChIInChI=1S/C14H24O5/c1-7-12(10(4)18-13(7)16)6-17-14-8(2)11(5-15)9(3)19-14/h7-12,14-15H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12-,14-/m0/s1
InChIKeyGGZMQQUHNRCSRE-WRVUBZDDSA-N
MW272.34 g/mol
LogP1.19
Rot. Bonds4

About (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one

(3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one (PubChem CID 102161309) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one
PubChem CID102161309
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one
SMILESC[C@@H]1[C@@H](OC[C@H]2[C@H](C)C(=O)O[C@@H]2C)O[C@H](C)[C@H]1CO
InChIInChI=1S/C14H24O5/c1-7-12(10(4)18-13(7)16)6-17-14-8(2)11(5-15)9(3)19-14/h7-12,14-15H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12-,14-/m0/s1
InChIKeyGGZMQQUHNRCSRE-WRVUBZDDSA-N
XLogP1.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one?
The IUPAC name of (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one (CID 102161309) is (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one?
The canonical SMILES for (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one is C[C@@H]1[C@@H](OC[C@H]2[C@H](C)C(=O)O[C@@H]2C)O[C@H](C)[C@H]1CO.
What is the InChIKey of (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one?
The InChIKey is GGZMQQUHNRCSRE-WRVUBZDDSA-N. The full InChI is InChI=1S/C14H24O5/c1-7-12(10(4)18-13(7)16)6-17-14-8(2)11(5-15)9(3)19-14/h7-12,14-15H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12-,14-/m0/s1.
What are the key properties of (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one?
(3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one has a molecular weight of 272.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-4-[[(2S,3S,4R,5R)-4-(hydroxymethyl)-3,5-dimethyloxolan-2-yl]oxymethyl]-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 102161309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).