2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate

C9H18O7 — CID 90957115

IUPAC2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate
SMILESCC(O)COCC(O)C(=O)OCC(O)CO
InChIInChI=1S/C9H18O7/c1-6(11)3-15-5-8(13)9(14)16-4-7(12)2-10/h6-8,10-13H,2-5H2,1H3
InChIKeyNCDYVBRAOSJEJA-UHFFFAOYSA-N
MW238.24 g/mol
LogP-2.36
Rot. Bonds8

About 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate

2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate (PubChem CID 90957115) has the molecular formula C9H18O7 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate
PubChem CID90957115
Molecular FormulaC9H18O7
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Name2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate
SMILESCC(O)COCC(O)C(=O)OCC(O)CO
InChIInChI=1S/C9H18O7/c1-6(11)3-15-5-8(13)9(14)16-4-7(12)2-10/h6-8,10-13H,2-5H2,1H3
InChIKeyNCDYVBRAOSJEJA-UHFFFAOYSA-N
XLogP-2.36
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
copper;2,3-dihydroxypropyl acetate
CID 175414462
2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
1-O-(2,3-dihydroxypropyl) 4-O-octadecanoyl 2-hydroxybutanedioate;propane-1,2-diol
CID 174911380
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
CID 87631073
2,3-dihydroxypropyl 2-methyltetradecanoate
CID 71388379

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate (CID 90957115) is 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate is CC(O)COCC(O)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate?
The InChIKey is NCDYVBRAOSJEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O7/c1-6(11)3-15-5-8(13)9(14)16-4-7(12)2-10/h6-8,10-13H,2-5H2,1H3.
What are the key properties of 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate?
2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate has a molecular weight of 238.24 g/mol, XLogP of -2.36, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-hydroxy-3-(2-hydroxypropoxy)propanoate is sourced from PubChem (CID 90957115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).