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

C8H14N2O5 — CID 10608838

IUPAC(1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)c1cnc[nH]1
InChIInChI=1S/C8H14N2O5/c11-2-5(12)7(14)8(15)6(13)4-1-9-3-10-4/h1,3,5-8,11-15H,2H2,(H,9,10)/t5-,6-,7-,8+/m1/s1
InChIKeyHPHOKCBXEWWILR-XUTVFYLZSA-N
MW218.21 g/mol
LogP-2.48
Rot. Bonds5

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

(1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol (PubChem CID 10608838) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol
PubChem CID10608838
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)c1cnc[nH]1
InChIInChI=1S/C8H14N2O5/c11-2-5(12)7(14)8(15)6(13)4-1-9-3-10-4/h1,3,5-8,11-15H,2H2,(H,9,10)/t5-,6-,7-,8+/m1/s1
InChIKeyHPHOKCBXEWWILR-XUTVFYLZSA-N
XLogP-2.48
TPSA129.83 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.21
LogP ≤ 5-2.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol with MolForge

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Related Compounds

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(2S,3S)-2-azaniumyl-3-hydroxy-3-(1H-imidazol-5-yl)propanoate
CID 10219609
2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
CID 138636606
(1S,2S,3S)-1-[6-[(1S,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 18712850
(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
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
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CID 87912891
N'-[(5S)-6,7-dihydroxy-7-(1H-imidazol-5-yl)-5-methylheptyl]ethanimidamide
CID 54486472
1H-imidazol-5-yl(naphthalen-1-yl)methanol
CID 10376336
hydroxy(1H-imidazol-5-yl)methanesulfinic acid
CID 45120574
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol?
The IUPAC name of (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol (CID 10608838) is (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol?
The canonical SMILES for (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)c1cnc[nH]1.
What is the InChIKey of (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol?
The InChIKey is HPHOKCBXEWWILR-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H14N2O5/c11-2-5(12)7(14)8(15)6(13)4-1-9-3-10-4/h1,3,5-8,11-15H,2H2,(H,9,10)/t5-,6-,7-,8+/m1/s1.
What are the key properties of (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol?
(1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol has a molecular weight of 218.21 g/mol, XLogP of -2.48, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-1-(1H-imidazol-5-yl)pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 10608838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).