(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one

C5H10O5 — CID 90469716

IUPAC(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
SMILESO=C([13CH2]O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1/i2+1
InChIKeyZAQJHHRNXZUBTE-USGVHLPZSA-N
MW151.12 g/mol
LogP-2.74
Rot. Bonds4

About (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one

(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one (PubChem CID 90469716) has the molecular formula C5H10O5 and a molecular weight of 151.12 g/mol. Its IUPAC name is (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one.

Molecular Properties

Compound Name(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
PubChem CID90469716
Molecular FormulaC5H10O5
Molecular Weight151.12 g/mol
Exact Mass151.06
IUPAC Name(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
SMILESO=C([13CH2]O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1/i2+1
InChIKeyZAQJHHRNXZUBTE-USGVHLPZSA-N
XLogP-2.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 118855885
phosphane;1,3,4,5-tetrahydroxypentan-2-one
CID 170344505
1,3,4,5,6-pentahydroxyhexan-2-one
CID 174437869
(3S,4R,5R)-1,3,4,5,6-pentahydroxy(2,5-13C2)hexan-2-one
CID 131873541
iron(3+);bis((3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one)
CID 157392156
azane;1,3,4,5,6-pentahydroxyhexan-2-one
CID 22315777
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 87261503
(2S,3S,4R)-2,3,4,5-tetrahydroxypentanal;(3S,4R)-1,3,4,5-tetrahydroxypentan-2-one
CID 87502838
(3S)-5-fluoro-1,3,4-trihydroxypentan-2-one
CID 130737250
(3R,4R,5R)-4-chloro-1,3,5,6-tetrahydroxyhexan-2-one
CID 88727372
bis(pentane-1,2,3,4,5-pentol);2,3,4,5-tetrahydroxypentanal;bis(1,3,4,5-tetrahydroxypentan-2-one)
CID 161079373
(3R,4R)-1,3,4-trihydroxyhexan-2-one
CID 101111963

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one?
The IUPAC name of (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one (CID 90469716) is (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one.
What is the SMILES notation for (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one?
The canonical SMILES for (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one is O=C([13CH2]O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one?
The InChIKey is ZAQJHHRNXZUBTE-USGVHLPZSA-N. The full InChI is InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1/i2+1.
What are the key properties of (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one?
(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one has a molecular weight of 151.12 g/mol, XLogP of -2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one is sourced from PubChem (CID 90469716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).