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

C10H18O9 — CID 87104355

IUPAC(2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal
SMILESO=C[C@H](OC1O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O9/c11-1-4(14)7(15)5(2-12)18-10-9(17)8(16)6(3-13)19-10/h2,4-11,13-17H,1,3H2/t4-,5+,6-,7-,8-,9+,10?/m1/s1
InChIKeyYQDAKGHSKBFREL-ZSLYMIKVSA-N
MW282.25 g/mol
LogP-4.28
Rot. Bonds7

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

(2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal (PubChem CID 87104355) has the molecular formula C10H18O9 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal.

Molecular Properties

Compound Name(2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal
PubChem CID87104355
Molecular FormulaC10H18O9
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name(2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal
SMILESO=C[C@H](OC1O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O9/c11-1-4(14)7(15)5(2-12)18-10-9(17)8(16)6(3-13)19-10/h2,4-11,13-17H,1,3H2/t4-,5+,6-,7-,8-,9+,10?/m1/s1
InChIKeyYQDAKGHSKBFREL-ZSLYMIKVSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4R)-3,4,5-trihydroxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanal
CID 87346003
3,4,5,6-tetrahydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
CID 135370624
(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
CID 121434252
(2R,3S,4S)-4,5,6-trihydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal
CID 53477865
(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
CID 165358386
2,4,5,6-tetrahydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
CID 4186181
(2R,3S,4R,5R)-3,4,5-trihydroxy-2,6-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal
CID 121434423
(2R,3S,4R)-2,4,5-trihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanal
CID 172864276
(3S,4R)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
CID 59574112
(2S,3R,4R,5S)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
CID 97050132
(2S,3R,4R,5R)-4-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
CID 59476548
(2R,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanoic acid
CID 3081214

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal?
The IUPAC name of (2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal (CID 87104355) is (2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal.
What is the SMILES notation for (2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal?
The canonical SMILES for (2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal is O=C[C@H](OC1O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal?
The InChIKey is YQDAKGHSKBFREL-ZSLYMIKVSA-N. The full InChI is InChI=1S/C10H18O9/c11-1-4(14)7(15)5(2-12)18-10-9(17)8(16)6(3-13)19-10/h2,4-11,13-17H,1,3H2/t4-,5+,6-,7-,8-,9+,10?/m1/s1.
What are the key properties of (2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal?
(2R,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-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,3R,4R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxypentanal is sourced from PubChem (CID 87104355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).