bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)

C25H54O25 — CID 161079373

IUPACbis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)
SMILESO=C(CO)C(O)C(O)CO.O=C(CO)C(O)C(O)CO.O=CC(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO
InChIInChI=1S/2C5H12O5.3C5H10O5/c5*6-1-3(8)5(10)4(9)2-7/h2*3-10H,1-2H2;2*3,5-8,10H,1-2H2;1,3-5,7-10H,2H2
InChIKeyUFRYYVQUVZFVDO-UHFFFAOYSA-N
MW754.68 g/mol
LogP-14.11
Rot. Bonds20

About bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)

bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one) (PubChem CID 161079373) has the molecular formula C25H54O25 and a molecular weight of 754.68 g/mol. Its IUPAC name is bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one).

Molecular Properties

Compound Namebis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)
PubChem CID161079373
Molecular FormulaC25H54O25
Molecular Weight754.68 g/mol
Exact Mass754.30
IUPAC Namebis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)
SMILESO=C(CO)C(O)C(O)CO.O=C(CO)C(O)C(O)CO.O=CC(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO
InChIInChI=1S/2C5H12O5.3C5H10O5/c5*6-1-3(8)5(10)4(9)2-7/h2*3-10H,1-2H2;2*3,5-8,10H,1-2H2;1,3-5,7-10H,2H2
InChIKeyUFRYYVQUVZFVDO-UHFFFAOYSA-N
XLogP-14.11
TPSA496.27 Ų
H-Bond Donors22
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.68
LogP ≤ 5-14.11
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
CID 87502838
(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
2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol
CID 22593493
(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

Frequently Asked Questions

What is the IUPAC name of bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)?
The IUPAC name of bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one) (CID 161079373) is bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one).
What is the SMILES notation for bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)?
The canonical SMILES for bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one) is O=C(CO)C(O)C(O)CO.O=C(CO)C(O)C(O)CO.O=CC(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO.OCC(O)C(O)C(O)CO.
What is the InChIKey of bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)?
The InChIKey is UFRYYVQUVZFVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O5.3C5H10O5/c5*6-1-3(8)5(10)4(9)2-7/h2*3-10H,1-2H2;2*3,5-8,10H,1-2H2;1,3-5,7-10H,2H2.
What are the key properties of bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)?
bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one) has a molecular weight of 754.68 g/mol, XLogP of -14.11, 20 rotatable bonds, 22 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one) is sourced from PubChem (CID 161079373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).