(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol

C7H14O5 — CID 118332800

IUPAC(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c1-3-5(10)6(11)7(12-3)4(9)2-8/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKeyVTTMWTDWMDJFCF-ZFYZTMLRSA-N
MW178.18 g/mol
LogP-2.15
Rot. Bonds2

About (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol

(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol (PubChem CID 118332800) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
PubChem CID118332800
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
SMILESC[C@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O5/c1-3-5(10)6(11)7(12-3)4(9)2-8/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKeyVTTMWTDWMDJFCF-ZFYZTMLRSA-N
XLogP-2.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol (CID 118332800) is (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol is C[C@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol?
The InChIKey is VTTMWTDWMDJFCF-ZFYZTMLRSA-N. The full InChI is InChI=1S/C7H14O5/c1-3-5(10)6(11)7(12-3)4(9)2-8/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol?
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol has a molecular weight of 178.18 g/mol, XLogP of -2.15, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 118332800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).