(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol

C7H14O5 — CID 138717575

IUPAC(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol
SMILESCC[C@H](O)C1O[C@@H](O)C(O)C1O
InChIInChI=1S/C7H14O5/c1-2-3(8)6-4(9)5(10)7(11)12-6/h3-11H,2H2,1H3/t3-,4?,5?,6?,7+/m0/s1
InChIKeyOVTQXBCQCDNWMJ-DOWYKABASA-N
MW178.18 g/mol
LogP-1.80
Rot. Bonds2

About (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol

(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol (PubChem CID 138717575) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol
PubChem CID138717575
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol
SMILESCC[C@H](O)C1O[C@@H](O)C(O)C1O
InChIInChI=1S/C7H14O5/c1-2-3(8)6-4(9)5(10)7(11)12-6/h3-11H,2H2,1H3/t3-,4?,5?,6?,7+/m0/s1
InChIKeyOVTQXBCQCDNWMJ-DOWYKABASA-N
XLogP-1.80
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 ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol?
The IUPAC name of (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol (CID 138717575) is (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol.
What is the SMILES notation for (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol?
The canonical SMILES for (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol is CC[C@H](O)C1O[C@@H](O)C(O)C1O.
What is the InChIKey of (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol?
The InChIKey is OVTQXBCQCDNWMJ-DOWYKABASA-N. The full InChI is InChI=1S/C7H14O5/c1-2-3(8)6-4(9)5(10)7(11)12-6/h3-11H,2H2,1H3/t3-,4?,5?,6?,7+/m0/s1.
What are the key properties of (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol?
(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol has a molecular weight of 178.18 g/mol, XLogP of -1.80, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol is sourced from PubChem (CID 138717575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).