(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate

C10H17O10- — CID 137333910

IUPAC(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O10/c11-1-4(6(14)7(15)9(17)18)20-10-8(16)5(13)3(12)2-19-10/h3-8,10-16H,1-2H2,(H,17,18)/p-1/t3-,4-,5+,6+,7-,8-,10+/m1/s1
InChIKeyDGXURXUMSDNLNT-LGPZGGMRSA-M
MW297.24 g/mol
LogP-5.73
Rot. Bonds6

About (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate

(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate (PubChem CID 137333910) has the molecular formula C10H17O10- and a molecular weight of 297.24 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate
PubChem CID137333910
Molecular FormulaC10H17O10-
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O10/c11-1-4(6(14)7(15)9(17)18)20-10-8(16)5(13)3(12)2-19-10/h3-8,10-16H,1-2H2,(H,17,18)/p-1/t3-,4-,5+,6+,7-,8-,10+/m1/s1
InChIKeyDGXURXUMSDNLNT-LGPZGGMRSA-M
XLogP-5.73
TPSA179.97 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.24
LogP ≤ 5-5.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate?
The IUPAC name of (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate (CID 137333910) is (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate.
What is the SMILES notation for (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate?
The canonical SMILES for (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate is O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate?
The InChIKey is DGXURXUMSDNLNT-LGPZGGMRSA-M. The full InChI is InChI=1S/C10H18O10/c11-1-4(6(14)7(15)9(17)18)20-10-8(16)5(13)3(12)2-19-10/h3-8,10-16H,1-2H2,(H,17,18)/p-1/t3-,4-,5+,6+,7-,8-,10+/m1/s1.
What are the key properties of (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate?
(2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate has a molecular weight of 297.24 g/mol, XLogP of -5.73, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentanoate is sourced from PubChem (CID 137333910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).