3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid

C174H190O48 — CID 22866678

IUPAC3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid
SMILESCOc1cc(CCc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc7cc(OC)c(Cc8cc(OC)c(Cc9cc(O)ccc9CCC(=O)O)cc8CCC(=O)O)cc7CCC(=O)O)cc6CCC(=O)O)cc5CCC(=O)O)cc4CCC(=O)O)cc3CCC(=O)O)cc2CCC(=O)O)c(CCC(=O)O)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc7cc(O)ccc7CCC(=O)O)cc6CCC(=O)O)cc5CCC(=O)O)cc4CCC(=O)O)cc3CCC(=O)O)cc2CCC(=O)O)cc1CCC(=O)O
InChIInChI=1S/C174H190O48/c1-209-145-83-113(99(21-39-161(181)182)53-129(145)69-117-87-149(213-5)133(57-103(117)25-43-165(189)190)73-121-91-153(217-9)137(61-107(121)29-47-169(197)198)77-125-95-157(221-13)141(65-111(125)33-51-173(205)206)79-127-93-155(219-11)139(63-109(127)31-49-171(201)202)75-123-89-151(215-7)135(59-105(123)27-45-167(193)194)71-119-85-147(211-3)131(55-101(119)23-41-163(185)186)67-115-81-143(175)35-17-97(115)19-37-159(177)178)15-16-114-84-146(210-2)130(54-100(114)22-40-162(183)184)70-118-88-150(214-6)134(58-104(118)26-44-166(191)192)74-122-92-154(218-10)138(62-108(122)30-48-170(199)200)78-126-96-158(222-14)142(66-112(126)34-52-174(207)208)80-128-94-156(220-12)140(64-110(128)32-50-172(203)204)76-124-90-152(216-8)136(60-106(124)28-46-168(195)196)72-120-86-148(212-4)132(56-102(120)24-42-164(187)188)68-116-82-144(176)36-18-98(116)20-38-160(179)180/h17-18,35-36,53-66,81-96,175-176H,15-16,19-34,37-52,67-80H2,1-14H3,(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)
InChIKeyXVSFGPICJBTMSP-UHFFFAOYSA-N
MW3049.39 g/mol
LogP25.55
Rot. Bonds93

About 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid

3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid (PubChem CID 22866678) has the molecular formula C174H190O48 and a molecular weight of 3049.39 g/mol. Its IUPAC name is 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid
PubChem CID22866678
Molecular FormulaC174H190O48
Molecular Weight3049.39 g/mol
Exact Mass3047.24
IUPAC Name3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid
SMILESCOc1cc(CCc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc7cc(OC)c(Cc8cc(OC)c(Cc9cc(O)ccc9CCC(=O)O)cc8CCC(=O)O)cc7CCC(=O)O)cc6CCC(=O)O)cc5CCC(=O)O)cc4CCC(=O)O)cc3CCC(=O)O)cc2CCC(=O)O)c(CCC(=O)O)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc7cc(O)ccc7CCC(=O)O)cc6CCC(=O)O)cc5CCC(=O)O)cc4CCC(=O)O)cc3CCC(=O)O)cc2CCC(=O)O)cc1CCC(=O)O
InChIInChI=1S/C174H190O48/c1-209-145-83-113(99(21-39-161(181)182)53-129(145)69-117-87-149(213-5)133(57-103(117)25-43-165(189)190)73-121-91-153(217-9)137(61-107(121)29-47-169(197)198)77-125-95-157(221-13)141(65-111(125)33-51-173(205)206)79-127-93-155(219-11)139(63-109(127)31-49-171(201)202)75-123-89-151(215-7)135(59-105(123)27-45-167(193)194)71-119-85-147(211-3)131(55-101(119)23-41-163(185)186)67-115-81-143(175)35-17-97(115)19-37-159(177)178)15-16-114-84-146(210-2)130(54-100(114)22-40-162(183)184)70-118-88-150(214-6)134(58-104(118)26-44-166(191)192)74-122-92-154(218-10)138(62-108(122)30-48-170(199)200)78-126-96-158(222-14)142(66-112(126)34-52-174(207)208)80-128-94-156(220-12)140(64-110(128)32-50-172(203)204)76-124-90-152(216-8)136(60-106(124)28-46-168(195)196)72-120-86-148(212-4)132(56-102(120)24-42-164(187)188)68-116-82-144(176)36-18-98(116)20-38-160(179)180/h17-18,35-36,53-66,81-96,175-176H,15-16,19-34,37-52,67-80H2,1-14H3,(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)
InChIKeyXVSFGPICJBTMSP-UHFFFAOYSA-N
XLogP25.55
TPSA766.48 Ų
H-Bond Donors18
H-Bond Acceptors32
Rotatable Bonds93
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003049.39
LogP ≤ 525.55
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1032

Analyze 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid with MolForge

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Related Compounds

3-(3-bromo-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 84810610
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
CID 91881318
1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 139808083
3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid
CID 117325047
3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117304993
3-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)propanoic acid
CID 117335780
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
CID 82052960
3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid?
The IUPAC name of 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid (CID 22866678) is 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid?
The canonical SMILES for 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid is COc1cc(CCc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc7cc(OC)c(Cc8cc(OC)c(Cc9cc(O)ccc9CCC(=O)O)cc8CCC(=O)O)cc7CCC(=O)O)cc6CCC(=O)O)cc5CCC(=O)O)cc4CCC(=O)O)cc3CCC(=O)O)cc2CCC(=O)O)c(CCC(=O)O)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc7cc(O)ccc7CCC(=O)O)cc6CCC(=O)O)cc5CCC(=O)O)cc4CCC(=O)O)cc3CCC(=O)O)cc2CCC(=O)O)cc1CCC(=O)O.
What is the InChIKey of 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid?
The InChIKey is XVSFGPICJBTMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H190O48/c1-209-145-83-113(99(21-39-161(181)182)53-129(145)69-117-87-149(213-5)133(57-103(117)25-43-165(189)190)73-121-91-153(217-9)137(61-107(121)29-47-169(197)198)77-125-95-157(221-13)141(65-111(125)33-51-173(205)206)79-127-93-155(219-11)139(63-109(127)31-49-171(201)202)75-123-89-151(215-7)135(59-105(123)27-45-167(193)194)71-119-85-147(211-3)131(55-101(119)23-41-163(185)186)67-115-81-143(175)35-17-97(115)19-37-159(177)178)15-16-114-84-146(210-2)130(54-100(114)22-40-162(183)184)70-118-88-150(214-6)134(58-104(118)26-44-166(191)192)74-122-92-154(218-10)138(62-108(122)30-48-170(199)200)78-126-96-158(222-14)142(66-112(126)34-52-174(207)208)80-128-94-156(220-12)140(64-110(128)32-50-172(203)204)76-124-90-152(216-8)136(60-106(124)28-46-168(195)196)72-120-86-148(212-4)132(56-102(120)24-42-164(187)188)68-116-82-144(176)36-18-98(116)20-38-160(179)180/h17-18,35-36,53-66,81-96,175-176H,15-16,19-34,37-52,67-80H2,1-14H3,(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208).
What are the key properties of 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid?
3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid has a molecular weight of 3049.39 g/mol, XLogP of 25.55, 93 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[[5-(2-carboxyethyl)-4-[2-[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-4-[[2-(2-carboxyethyl)-5-hydroxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]methyl]-5-methoxyphenyl]ethyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 22866678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).