(1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol

C9H18O6 — CID 59103768

IUPAC(1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]([C@H](O)CO)[C@@]1(O)[C@H](O)CO
InChIInChI=1S/C9H18O6/c1-8(2)9(14,6(13)4-11)7(15-8)5(12)3-10/h5-7,10-14H,3-4H2,1-2H3/t5-,6-,7-,9+/m1/s1
InChIKeyRQCXOENOVUFPOE-PULFBKJNSA-N
MW222.24 g/mol
LogP-2.40
Rot. Bonds4

About (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol

(1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol (PubChem CID 59103768) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol
PubChem CID59103768
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]([C@H](O)CO)[C@@]1(O)[C@H](O)CO
InChIInChI=1S/C9H18O6/c1-8(2)9(14,6(13)4-11)7(15-8)5(12)3-10/h5-7,10-14H,3-4H2,1-2H3/t5-,6-,7-,9+/m1/s1
InChIKeyRQCXOENOVUFPOE-PULFBKJNSA-N
XLogP-2.40
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol (CID 59103768) is (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol is CC1(C)O[C@H]([C@H](O)CO)[C@@]1(O)[C@H](O)CO.
What is the InChIKey of (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol?
The InChIKey is RQCXOENOVUFPOE-PULFBKJNSA-N. The full InChI is InChI=1S/C9H18O6/c1-8(2)9(14,6(13)4-11)7(15-8)5(12)3-10/h5-7,10-14H,3-4H2,1-2H3/t5-,6-,7-,9+/m1/s1.
What are the key properties of (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol?
(1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol has a molecular weight of 222.24 g/mol, XLogP of -2.40, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3S)-3-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4,4-dimethyloxetan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 59103768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).