2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid

C96H66O32S16 — CID 164805915

IUPAC2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8sc(-c9sc(-c%10sc(-c%11sc(-c%12sc(-c%13sc(-c%14sc(-c%15sc(-c%16sccc%16CC(=O)O)cc%15CC(=O)O)cc%14CC(=O)O)cc%13CC(=O)O)cc%12CC(=O)O)cc%11CC(=O)O)cc%10CC(=O)O)cc9CC(=O)O)cc8CC(=O)O)cc7CC(=O)O)cc6CC(=O)O)cc5CC(=O)O)cc4CC(=O)O)cc3CC(=O)O)cc2CC(=O)O)c1
InChIInChI=1S/C96H66O32S16/c97-66(98)4-35-3-51(130-34-35)83-37(20-68(101)102)6-53(132-83)85-39(22-70(105)106)8-55(134-85)87-41(24-72(109)110)10-57(136-87)89-43(26-74(113)114)12-59(138-89)91-45(28-76(117)118)14-61(140-91)93-47(30-78(121)122)16-63(142-93)95-49(32-80(125)126)18-65(144-95)96-50(33-81(127)128)17-64(143-96)94-48(31-79(123)124)15-62(141-94)92-46(29-77(119)120)13-60(139-92)90-44(27-75(115)116)11-58(137-90)88-42(25-73(111)112)9-56(135-88)86-40(23-71(107)108)7-54(133-86)84-38(21-69(103)104)5-52(131-84)82-36(1-2-129-82)19-67(99)100/h1-3,5-18,34H,4,19-33H2,(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)
InChIKeySPERTSWIOKARCP-UHFFFAOYSA-N
MW2244.62 g/mol
LogP21.71
Rot. Bonds47

About 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid

2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid (PubChem CID 164805915) has the molecular formula C96H66O32S16 and a molecular weight of 2244.62 g/mol. Its IUPAC name is 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
PubChem CID164805915
Molecular FormulaC96H66O32S16
Molecular Weight2244.62 g/mol
Exact Mass2241.91
IUPAC Name2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8sc(-c9sc(-c%10sc(-c%11sc(-c%12sc(-c%13sc(-c%14sc(-c%15sc(-c%16sccc%16CC(=O)O)cc%15CC(=O)O)cc%14CC(=O)O)cc%13CC(=O)O)cc%12CC(=O)O)cc%11CC(=O)O)cc%10CC(=O)O)cc9CC(=O)O)cc8CC(=O)O)cc7CC(=O)O)cc6CC(=O)O)cc5CC(=O)O)cc4CC(=O)O)cc3CC(=O)O)cc2CC(=O)O)c1
InChIInChI=1S/C96H66O32S16/c97-66(98)4-35-3-51(130-34-35)83-37(20-68(101)102)6-53(132-83)85-39(22-70(105)106)8-55(134-85)87-41(24-72(109)110)10-57(136-87)89-43(26-74(113)114)12-59(138-89)91-45(28-76(117)118)14-61(140-91)93-47(30-78(121)122)16-63(142-93)95-49(32-80(125)126)18-65(144-95)96-50(33-81(127)128)17-64(143-96)94-48(31-79(123)124)15-62(141-94)92-46(29-77(119)120)13-60(139-92)90-44(27-75(115)116)11-58(137-90)88-42(25-73(111)112)9-56(135-88)86-40(23-71(107)108)7-54(133-86)84-38(21-69(103)104)5-52(131-84)82-36(1-2-129-82)19-67(99)100/h1-3,5-18,34H,4,19-33H2,(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)
InChIKeySPERTSWIOKARCP-UHFFFAOYSA-N
XLogP21.71
TPSA596.80 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds47
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002244.62
LogP ≤ 521.71
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Analyze 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid (CID 164805915) is 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid is O=C(O)Cc1csc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sc(-c7sc(-c8sc(-c9sc(-c%10sc(-c%11sc(-c%12sc(-c%13sc(-c%14sc(-c%15sc(-c%16sccc%16CC(=O)O)cc%15CC(=O)O)cc%14CC(=O)O)cc%13CC(=O)O)cc%12CC(=O)O)cc%11CC(=O)O)cc%10CC(=O)O)cc9CC(=O)O)cc8CC(=O)O)cc7CC(=O)O)cc6CC(=O)O)cc5CC(=O)O)cc4CC(=O)O)cc3CC(=O)O)cc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
The InChIKey is SPERTSWIOKARCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H66O32S16/c97-66(98)4-35-3-51(130-34-35)83-37(20-68(101)102)6-53(132-83)85-39(22-70(105)106)8-55(134-85)87-41(24-72(109)110)10-57(136-87)89-43(26-74(113)114)12-59(138-89)91-45(28-76(117)118)14-61(140-91)93-47(30-78(121)122)16-63(142-93)95-49(32-80(125)126)18-65(144-95)96-50(33-81(127)128)17-64(143-96)94-48(31-79(123)124)15-62(141-94)92-46(29-77(119)120)13-60(139-92)90-44(27-75(115)116)11-58(137-90)88-42(25-73(111)112)9-56(135-88)86-40(23-71(107)108)7-54(133-86)84-38(21-69(103)104)5-52(131-84)82-36(1-2-129-82)19-67(99)100/h1-3,5-18,34H,4,19-33H2,(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128).
What are the key properties of 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid?
2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid has a molecular weight of 2244.62 g/mol, XLogP of 21.71, 47 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)-5-[4-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]acetic acid is sourced from PubChem (CID 164805915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).