2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid

C74H100O31 — CID 87269306

IUPAC2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid
SMILESCC(C)(C)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(O)COc1ccccc1
InChIInChI=1S/C74H100O31/c1-74(2,3)105-48-64(35-90-53-73(84)85)101-39-63(34-89-52-72(82)83)99-37-61(32-87-50-70(78)79)97-36-60(31-86-49-69(76)77)98-38-62(33-88-51-71(80)81)100-45-66(41-94-57-23-13-6-14-24-57)103-47-68(43-96-59-27-17-8-18-28-59)104-46-67(42-95-58-25-15-7-16-26-58)102-44-65(40-93-56-21-11-5-12-22-56)92-30-54(75)29-91-55-19-9-4-10-20-55/h4-28,54,60-68,75H,29-53H2,1-3H3,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)
InChIKeyPIYWKUGBCYZSCB-UHFFFAOYSA-N
MW1485.58 g/mol
LogP5.53
Rot. Bonds64

About 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid

2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid (PubChem CID 87269306) has the molecular formula C74H100O31 and a molecular weight of 1485.58 g/mol. Its IUPAC name is 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid
PubChem CID87269306
Molecular FormulaC74H100O31
Molecular Weight1485.58 g/mol
Exact Mass1484.62
IUPAC Name2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid
SMILESCC(C)(C)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(O)COc1ccccc1
InChIInChI=1S/C74H100O31/c1-74(2,3)105-48-64(35-90-53-73(84)85)101-39-63(34-89-52-72(82)83)99-37-61(32-87-50-70(78)79)97-36-60(31-86-49-69(76)77)98-38-62(33-88-51-71(80)81)100-45-66(41-94-57-23-13-6-14-24-57)103-47-68(43-96-59-27-17-8-18-28-59)104-46-67(42-95-58-25-15-7-16-26-58)102-44-65(40-93-56-21-11-5-12-22-56)92-30-54(75)29-91-55-19-9-4-10-20-55/h4-28,54,60-68,75H,29-53H2,1-3H3,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)
InChIKeyPIYWKUGBCYZSCB-UHFFFAOYSA-N
XLogP5.53
TPSA391.33 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds64
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001485.58
LogP ≤ 55.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[1-(carboxylatomethoxy)-3-[1-(carboxylatomethoxy)-3-[1-(carboxylatomethoxy)-3-[1-(carboxylatomethoxy)-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(3-phenylpropoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-hydroxypropoxy]acetate
CID 140579332
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
CID 10880575
(2-hydroxy-3-phenoxypropyl) 4-tert-butylbenzoate
CID 122466220
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
1-[1-[3-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-phenoxypropoxy]phenoxy]-3-phenoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol
CID 164786169
6-hydroxy-2,2-dimethyl-7-phenoxyheptan-3-one
CID 10977882
chloromethane;2-phenoxyacetic acid
CID 157255542
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
[2-hydroxy-3-[4-[2-[4-(2-hydroxy-3-phenoxycarbonyloxypropoxy)phenyl]propan-2-yl]phenoxy]propyl] phenyl carbonate
CID 139915038
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid?
The IUPAC name of 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid (CID 87269306) is 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid.
What is the SMILES notation for 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid?
The canonical SMILES for 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid is CC(C)(C)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COCC(=O)O)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(O)COc1ccccc1.
What is the InChIKey of 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid?
The InChIKey is PIYWKUGBCYZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H100O31/c1-74(2,3)105-48-64(35-90-53-73(84)85)101-39-63(34-89-52-72(82)83)99-37-61(32-87-50-70(78)79)97-36-60(31-86-49-69(76)77)98-38-62(33-88-51-71(80)81)100-45-66(41-94-57-23-13-6-14-24-57)103-47-68(43-96-59-27-17-8-18-28-59)104-46-67(42-95-58-25-15-7-16-26-58)102-44-65(40-93-56-21-11-5-12-22-56)92-30-54(75)29-91-55-19-9-4-10-20-55/h4-28,54,60-68,75H,29-53H2,1-3H3,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85).
What are the key properties of 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid?
2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid has a molecular weight of 1485.58 g/mol, XLogP of 5.53, 64 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid is sourced from PubChem (CID 87269306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).