(4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid

C9H14O8 — CID 54527837

IUPAC(4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid
SMILESCC1(C(=O)O)OC[C@@H](O)[C@H](C(=O)[C@H](O)CO)O1
InChIInChI=1S/C9H14O8/c1-9(8(14)15)16-3-5(12)7(17-9)6(13)4(11)2-10/h4-5,7,10-12H,2-3H2,1H3,(H,14,15)/t4-,5-,7-,9?/m1/s1
InChIKeyYUIYRBNJGGUPAW-KUMCRGDHSA-N
MW250.20 g/mol
LogP-2.51
Rot. Bonds4

About (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid

(4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid (PubChem CID 54527837) has the molecular formula C9H14O8 and a molecular weight of 250.20 g/mol. Its IUPAC name is (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid
PubChem CID54527837
Molecular FormulaC9H14O8
Molecular Weight250.20 g/mol
Exact Mass250.07
IUPAC Name(4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid
SMILESCC1(C(=O)O)OC[C@@H](O)[C@H](C(=O)[C@H](O)CO)O1
InChIInChI=1S/C9H14O8/c1-9(8(14)15)16-3-5(12)7(17-9)6(13)4(11)2-10/h4-5,7,10-12H,2-3H2,1H3,(H,14,15)/t4-,5-,7-,9?/m1/s1
InChIKeyYUIYRBNJGGUPAW-KUMCRGDHSA-N
XLogP-2.51
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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Maltulose
CID 87177

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid?
The IUPAC name of (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid (CID 54527837) is (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid.
What is the SMILES notation for (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid?
The canonical SMILES for (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid is CC1(C(=O)O)OC[C@@H](O)[C@H](C(=O)[C@H](O)CO)O1.
What is the InChIKey of (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid?
The InChIKey is YUIYRBNJGGUPAW-KUMCRGDHSA-N. The full InChI is InChI=1S/C9H14O8/c1-9(8(14)15)16-3-5(12)7(17-9)6(13)4(11)2-10/h4-5,7,10-12H,2-3H2,1H3,(H,14,15)/t4-,5-,7-,9?/m1/s1.
What are the key properties of (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid?
(4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid has a molecular weight of 250.20 g/mol, XLogP of -2.51, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid is sourced from PubChem (CID 54527837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).