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

C5H13ClO5 — CID 158818739

IUPAC(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
SMILESCl.OC[C@@H](O)C(O)[C@H](O)CO
InChIInChI=1S/C5H12O5.ClH/c6-1-3(8)5(10)4(9)2-7;/h3-10H,1-2H2;1H/t3-,4-;/m1./s1
InChIKeyIVPFCJFBIPBZJQ-VKKIDBQXSA-N
MW188.61 g/mol
LogP-2.52
Rot. Bonds4

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

(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride (PubChem CID 158818739) has the molecular formula C5H13ClO5 and a molecular weight of 188.61 g/mol. Its IUPAC name is (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
PubChem CID158818739
Molecular FormulaC5H13ClO5
Molecular Weight188.61 g/mol
Exact Mass188.05
IUPAC Name(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
SMILESCl.OC[C@@H](O)C(O)[C@H](O)CO
InChIInChI=1S/C5H12O5.ClH/c6-1-3(8)5(10)4(9)2-7;/h3-10H,1-2H2;1H/t3-,4-;/m1./s1
InChIKeyIVPFCJFBIPBZJQ-VKKIDBQXSA-N
XLogP-2.52
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
(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 158428296
CID 158428296
CID 87266813
CID 87266813
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride?
The IUPAC name of (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride (CID 158818739) is (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride.
What is the SMILES notation for (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride?
The canonical SMILES for (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride is Cl.OC[C@@H](O)C(O)[C@H](O)CO.
What is the InChIKey of (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride?
The InChIKey is IVPFCJFBIPBZJQ-VKKIDBQXSA-N. The full InChI is InChI=1S/C5H12O5.ClH/c6-1-3(8)5(10)4(9)2-7;/h3-10H,1-2H2;1H/t3-,4-;/m1./s1.
What are the key properties of (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride?
(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of -2.52, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride is sourced from PubChem (CID 158818739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).