5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide

C22H37NO7S — CID 70486966

IUPAC5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide
SMILESCCCCC(C)[C@H](O)/C=C/[C@@H]1c2cc(CCCCC(=O)O)oc2C[C@H]1O.CS(N)(=O)=O
InChIInChI=1S/C21H32O5.CH5NO2S/c1-3-4-7-14(2)18(22)11-10-16-17-12-15(8-5-6-9-21(24)25)26-20(17)13-19(16)23;1-5(2,3)4/h10-12,14,16,18-19,22-23H,3-9,13H2,1-2H3,(H,24,25);1H3,(H2,2,3,4)/b11-10+;/t14?,16-,18-,19-;/m1./s1
InChIKeyCNBHURKWQWGMOG-JFURQOIQSA-N
MW459.61 g/mol
LogP2.73
Rot. Bonds11

About 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide

5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide (PubChem CID 70486966) has the molecular formula C22H37NO7S and a molecular weight of 459.61 g/mol. Its IUPAC name is 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide.

Molecular Properties

Compound Name5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide
PubChem CID70486966
Molecular FormulaC22H37NO7S
Molecular Weight459.61 g/mol
Exact Mass459.23
IUPAC Name5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide
SMILESCCCCC(C)[C@H](O)/C=C/[C@@H]1c2cc(CCCCC(=O)O)oc2C[C@H]1O.CS(N)(=O)=O
InChIInChI=1S/C21H32O5.CH5NO2S/c1-3-4-7-14(2)18(22)11-10-16-17-12-15(8-5-6-9-21(24)25)26-20(17)13-19(16)23;1-5(2,3)4/h10-12,14,16,18-19,22-23H,3-9,13H2,1-2H3,(H,24,25);1H3,(H2,2,3,4)/b11-10+;/t14?,16-,18-,19-;/m1./s1
InChIKeyCNBHURKWQWGMOG-JFURQOIQSA-N
XLogP2.73
TPSA151.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide with MolForge

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Related Compounds

5-[(4R,5R)-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]-N-methylsulfonylpentanamide
CID 70486968
5-[(4R,5R)-4-[(3S)-7-chloro-3-hydroxy-4-methylocta-1,6-dienyl]-5-hydroxy-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid
CID 57319559
7-[(4R,5R)-2-butan-2-yl-4-hydroxy-5-[(3S)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid
CID 57173168
7-[(4R,5R)-4-hydroxy-5-[(3S)-3-hydroxyoct-1-enyl]-2-propan-2-ylcyclopenten-1-yl]heptanoic acid
CID 57209627
7-[(4R,5R)-4-hydroxy-5-[(3S)-3-hydroxyoct-1-enyl]-2-pentylcyclopenten-1-yl]heptanoic acid
CID 57275456
7-[(5R)-2-acetyl-4-hydroxy-5-[(3S,5R)-3-hydroxy-5-methylnon-1-enyl]cyclopenten-1-yl]heptanoic acid
CID 57017903
5-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl]pentanoic acid
CID 74083723
7-[(4R,5R)-2-cyclopropyl-4-hydroxy-5-[(3S)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid
CID 57163336
7-[(4R,5R)-2-acetyl-4-hydroxy-5-[(3S)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid
CID 57056073
7-[(4R,5R)-2-(fluoromethyl)-4-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoic acid
CID 18395396
8-[2-(1-carboxyhexan-3-yl)-3-hydroxycyclopentyl]-6-hydroxy-5-methyloct-7-enoic acid
CID 172864103
7-[(4R,5R)-4-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]-2-(4-phenylbutyl)cyclopenten-1-yl]heptanoic acid
CID 18395383

Frequently Asked Questions

What is the IUPAC name of 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide?
The IUPAC name of 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide (CID 70486966) is 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide.
What is the SMILES notation for 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide?
The canonical SMILES for 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide is CCCCC(C)[C@H](O)/C=C/[C@@H]1c2cc(CCCCC(=O)O)oc2C[C@H]1O.CS(N)(=O)=O.
What is the InChIKey of 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide?
The InChIKey is CNBHURKWQWGMOG-JFURQOIQSA-N. The full InChI is InChI=1S/C21H32O5.CH5NO2S/c1-3-4-7-14(2)18(22)11-10-16-17-12-15(8-5-6-9-21(24)25)26-20(17)13-19(16)23;1-5(2,3)4/h10-12,14,16,18-19,22-23H,3-9,13H2,1-2H3,(H,24,25);1H3,(H2,2,3,4)/b11-10+;/t14?,16-,18-,19-;/m1./s1.
What are the key properties of 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide?
5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide has a molecular weight of 459.61 g/mol, XLogP of 2.73, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-5,6-dihydro-4H-cyclopenta[b]furan-2-yl]pentanoic acid;methanesulfonamide is sourced from PubChem (CID 70486966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).