(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid

C9H16O10 — CID 90765048

IUPAC(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid
SMILESO=C(O[C@@H](C(=O)O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C9H16O10/c10-1-3(12)5(14)7(8(16)17)19-9(18)6(15)4(13)2-11/h3-7,10-15H,1-2H2,(H,16,17)/t3-,4-,5-,6+,7-/m1/s1
InChIKeyJUHGQYVZIICMTJ-BNWJMWRWSA-N
MW284.22 g/mol
LogP-4.59
Rot. Bonds8

About (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid

(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid (PubChem CID 90765048) has the molecular formula C9H16O10 and a molecular weight of 284.22 g/mol. Its IUPAC name is (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid.

Molecular Properties

Compound Name(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid
PubChem CID90765048
Molecular FormulaC9H16O10
Molecular Weight284.22 g/mol
Exact Mass284.07
IUPAC Name(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid
SMILESO=C(O[C@@H](C(=O)O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C9H16O10/c10-1-3(12)5(14)7(8(16)17)19-9(18)6(15)4(13)2-11/h3-7,10-15H,1-2H2,(H,16,17)/t3-,4-,5-,6+,7-/m1/s1
InChIKeyJUHGQYVZIICMTJ-BNWJMWRWSA-N
XLogP-4.59
TPSA184.98 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.22
LogP ≤ 5-4.59
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87662117
(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 25051954
(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxyhexanoic acid
CID 88618861
(2R,3S,4R,5R)-2-[(2R)-2,6-diaminohexanoyl]oxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 91005369
2,3,4,5-tetrahydroxypentanoic acid
CID 10264
2-[(2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]oxypropanoic acid
CID 88767921
(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-(2-oxobutanoyloxy)hexanoic acid
CID 87562113
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-6-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]hexanoic acid
CID 57190558
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid?
The IUPAC name of (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid (CID 90765048) is (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid.
What is the SMILES notation for (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid?
The canonical SMILES for (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid is O=C(O[C@@H](C(=O)O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid?
The InChIKey is JUHGQYVZIICMTJ-BNWJMWRWSA-N. The full InChI is InChI=1S/C9H16O10/c10-1-3(12)5(14)7(8(16)17)19-9(18)6(15)4(13)2-11/h3-7,10-15H,1-2H2,(H,16,17)/t3-,4-,5-,6+,7-/m1/s1.
What are the key properties of (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid?
(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid has a molecular weight of 284.22 g/mol, XLogP of -4.59, 8 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid is sourced from PubChem (CID 90765048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).