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

C10H24O10 — CID 139064085

IUPAC(2S,4S)-pentane-1,2,3,4,5-pentol
SMILESOC[C@H](O)C(O)[C@@H](O)CO.OC[C@H](O)C(O)[C@@H](O)CO
InChIInChI=1S/2C5H12O5/c2*6-1-3(8)5(10)4(9)2-7/h2*3-10H,1-2H2/t2*3-,4-/m00/s1
InChIKeyFQGHKOSYVJVDKX-IHZAQJADSA-N
MW304.29 g/mol
LogP-5.89
Rot. Bonds8

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

(2S,4S)-pentane-1,2,3,4,5-pentol (PubChem CID 139064085) has the molecular formula C10H24O10 and a molecular weight of 304.29 g/mol. Its IUPAC name is (2S,4S)-pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,4S)-pentane-1,2,3,4,5-pentol
PubChem CID139064085
Molecular FormulaC10H24O10
Molecular Weight304.29 g/mol
Exact Mass304.14
IUPAC Name(2S,4S)-pentane-1,2,3,4,5-pentol
SMILESOC[C@H](O)C(O)[C@@H](O)CO.OC[C@H](O)C(O)[C@@H](O)CO
InChIInChI=1S/2C5H12O5/c2*6-1-3(8)5(10)4(9)2-7/h2*3-10H,1-2H2/t2*3-,4-/m00/s1
InChIKeyFQGHKOSYVJVDKX-IHZAQJADSA-N
XLogP-5.89
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.29
LogP ≤ 5-5.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
CID 158818739
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-pentane-1,2,3,4,5-pentol?
The IUPAC name of (2S,4S)-pentane-1,2,3,4,5-pentol (CID 139064085) is (2S,4S)-pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,4S)-pentane-1,2,3,4,5-pentol?
The canonical SMILES for (2S,4S)-pentane-1,2,3,4,5-pentol is OC[C@H](O)C(O)[C@@H](O)CO.OC[C@H](O)C(O)[C@@H](O)CO.
What is the InChIKey of (2S,4S)-pentane-1,2,3,4,5-pentol?
The InChIKey is FQGHKOSYVJVDKX-IHZAQJADSA-N. The full InChI is InChI=1S/2C5H12O5/c2*6-1-3(8)5(10)4(9)2-7/h2*3-10H,1-2H2/t2*3-,4-/m00/s1.
What are the key properties of (2S,4S)-pentane-1,2,3,4,5-pentol?
(2S,4S)-pentane-1,2,3,4,5-pentol has a molecular weight of 304.29 g/mol, XLogP of -5.89, 8 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 139064085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).