2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid

C16H22O6 — CID 70608011

IUPAC2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1[C@@H](C(O)=CCCCc2ccco2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C16H22O6/c17-12(6-2-1-4-10-5-3-7-22-10)16-11(8-15(20)21)13(18)9-14(16)19/h3,5-7,11,13-14,16-19H,1-2,4,8-9H2,(H,20,21)/t11-,13-,14+,16-/m0/s1
InChIKeyFIFSGNYRCIWJRF-ZIEJDFEHSA-N
MW310.35 g/mol
LogP1.88
Rot. Bonds7

About 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid

2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid (PubChem CID 70608011) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid
PubChem CID70608011
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1[C@@H](C(O)=CCCCc2ccco2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C16H22O6/c17-12(6-2-1-4-10-5-3-7-22-10)16-11(8-15(20)21)13(18)9-14(16)19/h3,5-7,11,13-14,16-19H,1-2,4,8-9H2,(H,20,21)/t11-,13-,14+,16-/m0/s1
InChIKeyFIFSGNYRCIWJRF-ZIEJDFEHSA-N
XLogP1.88
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-yl)butanal
CID 14455558
(Z)-7-[(3R,5S)-2-[(E)-5-(furan-3-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 70185797
2-[(1R,2R,3R,5S)-3-benzoyloxy-5-hydroxy-2-(1-hydroxy-4-phenoxybut-1-enyl)cyclopentyl]acetic acid
CID 70570230
7-[(1R)-2-[5-(furan-2-yl)-3-methoxypent-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 91343438
(Z)-7-[2-[(E)-5-(furan-2-yl)-1-methoxypent-1-enyl]-1,2-dihydroxycyclopentyl]hept-5-enoic acid
CID 70192074
4-(furan-2-yl)-2-phenylbut-2-enal
CID 174960857
2-[1,3-bis(furan-2-yl)-2-(furan-2-ylmethyl)propan-2-yl]-4-(furan-2-yl)but-2-enoic acid
CID 54506556
N-[3-(furan-2-yl)propyl]formamide
CID 87322197
5-(furan-2-yl)-2-methylpentanoic acid
CID 82075109
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569
2-[(1S,2S,3S,5R)-3-benzoyloxy-5-hydroxy-2-(1-hydroxy-4-methyloct-1-enyl)cyclopentyl]acetic acid
CID 70619912

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid (CID 70608011) is 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid is O=C(O)C[C@@H]1[C@@H](C(O)=CCCCc2ccco2)[C@H](O)C[C@@H]1O.
What is the InChIKey of 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid?
The InChIKey is FIFSGNYRCIWJRF-ZIEJDFEHSA-N. The full InChI is InChI=1S/C16H22O6/c17-12(6-2-1-4-10-5-3-7-22-10)16-11(8-15(20)21)13(18)9-14(16)19/h3,5-7,11,13-14,16-19H,1-2,4,8-9H2,(H,20,21)/t11-,13-,14+,16-/m0/s1.
What are the key properties of 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid?
2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R,5S)-2-[5-(furan-2-yl)-1-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]acetic acid is sourced from PubChem (CID 70608011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).