(2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal

C10H18O9 — CID 165359509

IUPAC(2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal
SMILESO=C[C@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O9/c11-1-4(13)7(15)5(14)3-18-10-9(17)8(16)6(2-12)19-10/h1,4-10,12-17H,2-3H2/t4-,5-,6-,7+,8-,9+,10+/m0/s1
InChIKeyBKTHPEZTBMTHCL-IJQGAOOBSA-N
MW282.25 g/mol
LogP-4.28
Rot. Bonds7

About (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal

(2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal (PubChem CID 165359509) has the molecular formula C10H18O9 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal.

Molecular Properties

Compound Name(2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal
PubChem CID165359509
Molecular FormulaC10H18O9
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name(2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal
SMILESO=C[C@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O9/c11-1-4(13)7(15)5(14)3-18-10-9(17)8(16)6(2-12)19-10/h1,4-10,12-17H,2-3H2/t4-,5-,6-,7+,8-,9+,10+/m0/s1
InChIKeyBKTHPEZTBMTHCL-IJQGAOOBSA-N
XLogP-4.28
TPSA156.91 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.25
LogP ≤ 5-4.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal?
The IUPAC name of (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal (CID 165359509) is (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal.
What is the SMILES notation for (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal?
The canonical SMILES for (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal is O=C[C@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal?
The InChIKey is BKTHPEZTBMTHCL-IJQGAOOBSA-N. The full InChI is InChI=1S/C10H18O9/c11-1-4(13)7(15)5(14)3-18-10-9(17)8(16)6(2-12)19-10/h1,4-10,12-17H,2-3H2/t4-,5-,6-,7+,8-,9+,10+/m0/s1.
What are the key properties of (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal?
(2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal has a molecular weight of 282.25 g/mol, XLogP of -4.28, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentanal is sourced from PubChem (CID 165359509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).