(2R,4S)-pentane-1,2,3,4,5-pentol

C5H12O5 — CID 6912

IUPAC(2R,4S)-pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)C(O)[C@@H](O)CO
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
InChIKeyHEBKCHPVOIAQTA-NGQZWQHPSA-N
MW152.15 g/mol
LogP-2.95
Rot. Bonds4

About (2R,4S)-pentane-1,2,3,4,5-pentol

(2R,4S)-pentane-1,2,3,4,5-pentol (PubChem CID 6912) has the molecular formula C5H12O5 and a molecular weight of 152.15 g/mol. Its IUPAC name is (2R,4S)-pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,4S)-pentane-1,2,3,4,5-pentol
PubChem CID6912
Molecular FormulaC5H12O5
Molecular Weight152.15 g/mol
Exact Mass152.07
IUPAC Name(2R,4S)-pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)C(O)[C@@H](O)CO
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
InChIKeyHEBKCHPVOIAQTA-NGQZWQHPSA-N
XLogP-2.95
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-2.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-pentane-1,2,3,4,5-pentol?
The IUPAC name of (2R,4S)-pentane-1,2,3,4,5-pentol (CID 6912) is (2R,4S)-pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,4S)-pentane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,4S)-pentane-1,2,3,4,5-pentol is OC[C@@H](O)C(O)[C@@H](O)CO.
What is the InChIKey of (2R,4S)-pentane-1,2,3,4,5-pentol?
The InChIKey is HEBKCHPVOIAQTA-NGQZWQHPSA-N. The full InChI is InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?.
What are the key properties of (2R,4S)-pentane-1,2,3,4,5-pentol?
(2R,4S)-pentane-1,2,3,4,5-pentol has a molecular weight of 152.15 g/mol, XLogP of -2.95, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 6912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).