5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid

C10H18O8 — CID 87196720

IUPAC5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid
SMILESO=C(O)CCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O8/c11-4-6(12)10(17)7(13)5-18-9(16)3-1-2-8(14)15/h6-7,10-13,17H,1-5H2,(H,14,15)/t6-,7+,10+/m1/s1
InChIKeyUGZWYFYYULLHAE-FWWHASMVSA-N
MW266.25 g/mol
LogP-2.14
Rot. Bonds9

About 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid

5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid (PubChem CID 87196720) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid
PubChem CID87196720
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid
SMILESO=C(O)CCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O8/c11-4-6(12)10(17)7(13)5-18-9(16)3-1-2-8(14)15/h6-7,10-13,17H,1-5H2,(H,14,15)/t6-,7+,10+/m1/s1
InChIKeyUGZWYFYYULLHAE-FWWHASMVSA-N
XLogP-2.14
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] octanoate
CID 22216382
[(2S,3S,4S)-2,3,4,5-tetrahydroxypentyl] docosanoate
CID 122404058
2,3,4,5,6-pentahydroxyhexyl octadecanoate
CID 13476566
2,3,4,5,6-pentahydroxyhexyl hexadecanoate
CID 14914
[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dodecanoate
CID 11516104
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
5-(2-hydroxypropoxy)-5-oxopentanoic acid
CID 88687077
6-(2-hydroxypropoxy)-6-oxohexanoic acid;propane-1,2-diol
CID 87972494
[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] octadec-9-enoate
CID 90764900
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 9,10-dihydroxyoctadecanoate
CID 71547441
[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] 9,10-dihydroxyoctadecanoate;[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 9,10-dihydroxyoctadecanoate
CID 158014556
[(2R,4S)-2,3,4-trihydroxy-5-octanoyloxypentyl] octanoate
CID 155928861

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid?
The IUPAC name of 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid (CID 87196720) is 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid is O=C(O)CCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid?
The InChIKey is UGZWYFYYULLHAE-FWWHASMVSA-N. The full InChI is InChI=1S/C10H18O8/c11-4-6(12)10(17)7(13)5-18-9(16)3-1-2-8(14)15/h6-7,10-13,17H,1-5H2,(H,14,15)/t6-,7+,10+/m1/s1.
What are the key properties of 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid?
5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid has a molecular weight of 266.25 g/mol, XLogP of -2.14, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid is sourced from PubChem (CID 87196720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).