dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate

C10H18O6 — CID 6453580

IUPACdipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate
SMILESCC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)C
InChIInChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m1/s1
InChIKeyXEBCWEDRGPSHQH-HTQZYQBOSA-N
MW234.25 g/mol
LogP-0.39
Rot. Bonds5

About dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate

dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 6453580) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namedipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID6453580
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namedipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate
SMILESCC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)C
InChIInChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m1/s1
InChIKeyXEBCWEDRGPSHQH-HTQZYQBOSA-N
XLogP-0.39
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate (CID 6453580) is dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate is CC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is XEBCWEDRGPSHQH-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m1/s1.
What are the key properties of dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate?
dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 234.25 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 6453580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).