2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid

C15H20O11 — CID 129048068

IUPAC2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid
SMILESCOC(=O)C1OC(CC(=O)O)C(CC(=O)O)C(CC(=O)O)C1CC(=O)O
InChIInChI=1S/C15H20O11/c1-25-15(24)14-8(4-12(20)21)6(2-10(16)17)7(3-11(18)19)9(26-14)5-13(22)23/h6-9,14H,2-5H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKeyRSNXOTOAVBQRIV-UHFFFAOYSA-N
MW376.31 g/mol
LogP-0.33
Rot. Bonds9

About 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid

2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid (PubChem CID 129048068) has the molecular formula C15H20O11 and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid
PubChem CID129048068
Molecular FormulaC15H20O11
Molecular Weight376.31 g/mol
Exact Mass376.10
IUPAC Name2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid
SMILESCOC(=O)C1OC(CC(=O)O)C(CC(=O)O)C(CC(=O)O)C1CC(=O)O
InChIInChI=1S/C15H20O11/c1-25-15(24)14-8(4-12(20)21)6(2-10(16)17)7(3-11(18)19)9(26-14)5-13(22)23/h6-9,14H,2-5H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKeyRSNXOTOAVBQRIV-UHFFFAOYSA-N
XLogP-0.33
TPSA184.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-azido-3,5-bis(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid
CID 129048071
2-[(2R,3R,5S,6S)-3,5-bis(carboxymethyl)-2-(3-hydroxypropoxy)-6-methoxycarbonyloxan-4-yl]acetic acid
CID 175061559
2-[2,3,4-tris(carboxymethyl)cyclobutyl]acetic acid
CID 13046627
2-[(2S,3R,4S,5S,6S)-3,5-bis(carboxymethyl)-2-(4-formyl-3,5-dimethoxyphenoxy)-6-methoxycarbonyloxan-4-yl]acetic acid;4-hydroxy-2,6-dimethoxybenzaldehyde
CID 175961146
2-[3,5-bis(carboxymethyl)-2-[4-(hydroxymethyl)-2-nitrophenoxy]-6-methoxycarbonyloxan-4-yl]acetic acid
CID 175803579
2-[(2S,3R,4S,5S,6S)-3,5-bis(carboxymethyl)-2-(4-formyl-3-methoxyphenoxy)-6-methoxycarbonyloxan-4-yl]acetic acid;4-hydroxy-2-methoxybenzaldehyde
CID 175961102
methyl (2S,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylate
CID 59974138
methyl (2R,3R,4S,5R,6S)-6-(iodophosphanyloxymethyl)-3,4,5-trimethyloxane-2-carboxylate;vanadium
CID 59036525
(3R,4R,6R)-3-[[(2R,4R,5R)-3,4-dihydroxy-6-methoxycarbonyl-5-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-[[(3R,4R,6R)-6-[[(3R,4R,6R)-6-[[(3R,4R,6R)-4,5-dihydroxy-2-methoxycarbonyl-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-methoxycarbonyloxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-methoxycarbonyloxan-3-yl]methoxymethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 155629886
methyl (2R,3R)-3-octyloxirane-2-carboxylate
CID 134894079
methyl 3-[[3,5-bis[(3-methoxycarbonyloxiran-2-yl)methyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl]oxirane-2-carboxylate
CID 59141583
dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate
CID 130308368

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid?
The IUPAC name of 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid (CID 129048068) is 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid.
What is the SMILES notation for 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid?
The canonical SMILES for 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid is COC(=O)C1OC(CC(=O)O)C(CC(=O)O)C(CC(=O)O)C1CC(=O)O.
What is the InChIKey of 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid?
The InChIKey is RSNXOTOAVBQRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O11/c1-25-15(24)14-8(4-12(20)21)6(2-10(16)17)7(3-11(18)19)9(26-14)5-13(22)23/h6-9,14H,2-5H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid?
2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid has a molecular weight of 376.31 g/mol, XLogP of -0.33, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid is sourced from PubChem (CID 129048068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).