(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one

C10H20O10 — CID 87502838

IUPAC(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
SMILESO=C(CO)[C@@H](O)[C@H](O)CO.O=C[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/2C5H10O5/c2*6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2;1,3-5,7-10H,2H2/t3-,5+;3-,4-,5-/m11/s1
InChIKeyIQVRHVQUIHYHCW-KXGWXHTHSA-N
MW300.26 g/mol
LogP-5.48
Rot. Bonds8

About (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one

(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one (PubChem CID 87502838) has the molecular formula C10H20O10 and a molecular weight of 300.26 g/mol. Its IUPAC name is (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one.

Molecular Properties

Compound Name(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
PubChem CID87502838
Molecular FormulaC10H20O10
Molecular Weight300.26 g/mol
Exact Mass300.11
IUPAC Name(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
SMILESO=C(CO)[C@@H](O)[C@H](O)CO.O=C[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/2C5H10O5/c2*6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2;1,3-5,7-10H,2H2/t3-,5+;3-,4-,5-/m11/s1
InChIKeyIQVRHVQUIHYHCW-KXGWXHTHSA-N
XLogP-5.48
TPSA195.98 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.26
LogP ≤ 5-5.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)
CID 161079373
(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;(2S,3S,4S)-2,3,4,5-tetrahydroxypentanal;(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
CID 173288953
bis(2,3,4,5,6-pentahydroxyhexanal);1,3,4,5,6-pentahydroxyhexan-2-one
CID 174367583
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 87376223
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal
CID 159034378
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one?
The IUPAC name of (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one (CID 87502838) is (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one.
What is the SMILES notation for (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one?
The canonical SMILES for (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one is O=C(CO)[C@@H](O)[C@H](O)CO.O=C[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one?
The InChIKey is IQVRHVQUIHYHCW-KXGWXHTHSA-N. The full InChI is InChI=1S/2C5H10O5/c2*6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2;1,3-5,7-10H,2H2/t3-,5+;3-,4-,5-/m11/s1.
What are the key properties of (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one?
(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one has a molecular weight of 300.26 g/mol, XLogP of -5.48, 8 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one is sourced from PubChem (CID 87502838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).