2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate

C10H20O8 — CID 175521399

IUPAC2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
SMILESO=C(C[C@@H](O)COCC(O)CO)OCC(O)CO
InChIInChI=1S/C10H20O8/c11-2-8(14)5-17-4-7(13)1-10(16)18-6-9(15)3-12/h7-9,11-15H,1-6H2/t7-,8?,9?/m1/s1
InChIKeyACRCDRBGKIHNKO-AFPNSQJFSA-N
MW268.26 g/mol
LogP-3.00
Rot. Bonds10

About 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate

2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate (PubChem CID 175521399) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
PubChem CID175521399
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
SMILESO=C(C[C@@H](O)COCC(O)CO)OCC(O)CO
InChIInChI=1S/C10H20O8/c11-2-8(14)5-17-4-7(13)1-10(16)18-6-9(15)3-12/h7-9,11-15H,1-6H2/t7-,8?,9?/m1/s1
InChIKeyACRCDRBGKIHNKO-AFPNSQJFSA-N
XLogP-3.00
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-3.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] hexanoate
CID 169079692
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
3-(2,3-dihydroxypropoxy)-3-oxopropanoic acid
CID 54010507
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
[2-hydroxy-3-[2-hydroxy-3-(3-oxobutanoyloxy)propoxy]propyl] 3-oxobutanoate
CID 166042040
2,3-dihydroxypropyl butanoate
CID 175822551
2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate
CID 90957115
hydroxymethyl 3,4-dihydroxybutanoate
CID 174572544
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
CID 174848514

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate?
The IUPAC name of 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate (CID 175521399) is 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate.
What is the SMILES notation for 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate?
The canonical SMILES for 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate is O=C(C[C@@H](O)COCC(O)CO)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate?
The InChIKey is ACRCDRBGKIHNKO-AFPNSQJFSA-N. The full InChI is InChI=1S/C10H20O8/c11-2-8(14)5-17-4-7(13)1-10(16)18-6-9(15)3-12/h7-9,11-15H,1-6H2/t7-,8?,9?/m1/s1.
What are the key properties of 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate?
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate has a molecular weight of 268.26 g/mol, XLogP of -3.00, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate is sourced from PubChem (CID 175521399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).