2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol

C11H24O9 — CID 175345676

IUPAC2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol
SMILESCC(C(O)(CO)CO)(C(O)(CO)CO)C(O)(CO)CO
InChIInChI=1S/C11H24O9/c1-8(9(18,2-12)3-13,10(19,4-14)5-15)11(20,6-16)7-17/h12-20H,2-7H2,1H3
InChIKeyUBLXHJYQPIPIBP-UHFFFAOYSA-N
MW300.30 g/mol
LogP-4.86
Rot. Bonds9

About 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol

2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol (PubChem CID 175345676) has the molecular formula C11H24O9 and a molecular weight of 300.30 g/mol. Its IUPAC name is 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol.

Molecular Properties

Compound Name2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol
PubChem CID175345676
Molecular FormulaC11H24O9
Molecular Weight300.30 g/mol
Exact Mass300.14
IUPAC Name2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol
SMILESCC(C(O)(CO)CO)(C(O)(CO)CO)C(O)(CO)CO
InChIInChI=1S/C11H24O9/c1-8(9(18,2-12)3-13,10(19,4-14)5-15)11(20,6-16)7-17/h12-20H,2-7H2,1H3
InChIKeyUBLXHJYQPIPIBP-UHFFFAOYSA-N
XLogP-4.86
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.30
LogP ≤ 5-4.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

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2-silylpropane-1,2-diol
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3-ethyl-2,2-dimethylpentane-1,3-diol
CID 130124646
alumane;2,2-dimethylpropan-1-ol
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2-(hydroxymethyl)-2-methylpropane-1,3-diol
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4-iodo-4-methyl-2-(trifluoromethyl)pentane-1,2-diol
CID 143906741
3-amino-2,3-bis(hydroxymethyl)butane-1,2,4-triol
CID 88601878
3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol
CID 89015662
ethane-1,1,1,2-tetrol
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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol?
The IUPAC name of 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol (CID 175345676) is 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol.
What is the SMILES notation for 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol?
The canonical SMILES for 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol is CC(C(O)(CO)CO)(C(O)(CO)CO)C(O)(CO)CO.
What is the InChIKey of 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol?
The InChIKey is UBLXHJYQPIPIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O9/c1-8(9(18,2-12)3-13,10(19,4-14)5-15)11(20,6-16)7-17/h12-20H,2-7H2,1H3.
What are the key properties of 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol?
2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol has a molecular weight of 300.30 g/mol, XLogP of -4.86, 9 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hydroxymethyl)-3-methyl-3-(1,2,3-trihydroxypropan-2-yl)pentane-1,2,4,5-tetrol is sourced from PubChem (CID 175345676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).