3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde

C194H192O44 — CID 167616479

IUPAC3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde
SMILESC=CCc1cc(C(C)(C)c2ccc(OCC(O)COc3ccc4ccccc4c3C=O)c(CC=C)c2)ccc1OCC(O)COc1ccc2ccccc2c1C=O.COc1cccc2ccc(OC3CCC(COC(=O)COC(=O)C(CC(=O)OCCCCCC(=O)OCC4CCC(Oc5ccc6ccccc6c5C=O)C(O)C4)C(CC(=O)OCC(=O)OCC4CCC(Oc5ccc6ccccc6c5OC)C(O)C4)C(=O)OCC(=O)OCC4CCC(Oc5ccc6cccc(C=O)c6c5)C(O)C4)CC3O)cc12.O=Cc1c(OCC(O)COc2ccc(C3(c4ccc(OCC(O)COc5ccc6ccccc6c5C=O)cc4)c4ccccc4-c4ccccc43)cc2)ccc2ccccc12
InChIInChI=1S/C92H102O28.C53H42O8.C49H48O8/c1-107-77-19-11-15-62-26-30-65(43-69(62)77)118-80-32-22-57(39-74(80)96)51-112-88(103)53-115-91(105)70(44-85(100)109-37-9-3-4-20-84(99)110-48-55-23-33-81(75(97)40-55)119-78-35-27-59-12-5-7-17-66(59)72(78)47-94)71(92(106)116-54-89(104)113-50-56-21-31-79(73(95)38-56)117-64-29-25-61-14-10-16-63(46-93)68(61)42-64)45-86(101)114-52-87(102)111-49-58-24-34-82(76(98)41-58)120-83-36-28-60-13-6-8-18-67(60)90(83)108-2;54-29-47-43-11-3-1-9-35(43)17-27-51(47)60-33-39(56)31-58-41-23-19-37(20-24-41)53(49-15-7-5-13-45(49)46-14-6-8-16-50(46)53)38-21-25-42(26-22-38)59-32-40(57)34-61-52-28-18-36-10-2-4-12-44(36)48(52)30-55;1-5-11-35-25-37(19-23-45(35)54-29-39(52)31-56-47-21-17-33-13-7-9-15-41(33)43(47)27-50)49(3,4)38-20-24-46(36(26-38)12-6-2)55-30-40(53)32-57-48-22-18-34-14-8-10-16-42(34)44(48)28-51/h5-8,10-19,25-30,35-36,42-43,46-47,55-58,70-71,73-76,79-82,95-98H,3-4,9,20-24,31-34,37-41,44-45,48-54H2,1-2H3;1-30,39-40,56-57H,31-34H2;5-10,13-28,39-40,52-53H,1-2,11-12,29-32H2,3-4H3
InChIKeyLUWWAZCGCLWFTM-UHFFFAOYSA-N
MW3227.63 g/mol
LogP30.25
Rot. Bonds75

About 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde

3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde (PubChem CID 167616479) has the molecular formula C194H192O44 and a molecular weight of 3227.63 g/mol. Its IUPAC name is 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde
PubChem CID167616479
Molecular FormulaC194H192O44
Molecular Weight3227.63 g/mol
Exact Mass3225.28
IUPAC Name3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde
SMILESC=CCc1cc(C(C)(C)c2ccc(OCC(O)COc3ccc4ccccc4c3C=O)c(CC=C)c2)ccc1OCC(O)COc1ccc2ccccc2c1C=O.COc1cccc2ccc(OC3CCC(COC(=O)COC(=O)C(CC(=O)OCCCCCC(=O)OCC4CCC(Oc5ccc6ccccc6c5C=O)C(O)C4)C(CC(=O)OCC(=O)OCC4CCC(Oc5ccc6ccccc6c5OC)C(O)C4)C(=O)OCC(=O)OCC4CCC(Oc5ccc6cccc(C=O)c6c5)C(O)C4)CC3O)cc12.O=Cc1c(OCC(O)COc2ccc(C3(c4ccc(OCC(O)COc5ccc6ccccc6c5C=O)cc4)c4ccccc4-c4ccccc43)cc2)ccc2ccccc12
InChIInChI=1S/C92H102O28.C53H42O8.C49H48O8/c1-107-77-19-11-15-62-26-30-65(43-69(62)77)118-80-32-22-57(39-74(80)96)51-112-88(103)53-115-91(105)70(44-85(100)109-37-9-3-4-20-84(99)110-48-55-23-33-81(75(97)40-55)119-78-35-27-59-12-5-7-17-66(59)72(78)47-94)71(92(106)116-54-89(104)113-50-56-21-31-79(73(95)38-56)117-64-29-25-61-14-10-16-63(46-93)68(61)42-64)45-86(101)114-52-87(102)111-49-58-24-34-82(76(98)41-58)120-83-36-28-60-13-6-8-18-67(60)90(83)108-2;54-29-47-43-11-3-1-9-35(43)17-27-51(47)60-33-39(56)31-58-41-23-19-37(20-24-41)53(49-15-7-5-13-45(49)46-14-6-8-16-50(46)53)38-21-25-42(26-22-38)59-32-40(57)34-61-52-28-18-36-10-2-4-12-44(36)48(52)30-55;1-5-11-35-25-37(19-23-45(35)54-29-39(52)31-56-47-21-17-33-13-7-9-15-41(33)43(47)27-50)49(3,4)38-20-24-46(36(26-38)12-6-2)55-30-40(53)32-57-48-22-18-34-14-8-10-16-42(34)44(48)28-51/h5-8,10-19,25-30,35-36,42-43,46-47,55-58,70-71,73-76,79-82,95-98H,3-4,9,20-24,31-34,37-41,44-45,48-54H2,1-2H3;1-30,39-40,56-57H,31-34H2;5-10,13-28,39-40,52-53H,1-2,11-12,29-32H2,3-4H3
InChIKeyLUWWAZCGCLWFTM-UHFFFAOYSA-N
XLogP30.25
TPSA603.88 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds75
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003227.63
LogP ≤ 530.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde (CID 167616479) is 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde is C=CCc1cc(C(C)(C)c2ccc(OCC(O)COc3ccc4ccccc4c3C=O)c(CC=C)c2)ccc1OCC(O)COc1ccc2ccccc2c1C=O.COc1cccc2ccc(OC3CCC(COC(=O)COC(=O)C(CC(=O)OCCCCCC(=O)OCC4CCC(Oc5ccc6ccccc6c5C=O)C(O)C4)C(CC(=O)OCC(=O)OCC4CCC(Oc5ccc6ccccc6c5OC)C(O)C4)C(=O)OCC(=O)OCC4CCC(Oc5ccc6cccc(C=O)c6c5)C(O)C4)CC3O)cc12.O=Cc1c(OCC(O)COc2ccc(C3(c4ccc(OCC(O)COc5ccc6ccccc6c5C=O)cc4)c4ccccc4-c4ccccc43)cc2)ccc2ccccc12.
What is the InChIKey of 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde?
The InChIKey is LUWWAZCGCLWFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H102O28.C53H42O8.C49H48O8/c1-107-77-19-11-15-62-26-30-65(43-69(62)77)118-80-32-22-57(39-74(80)96)51-112-88(103)53-115-91(105)70(44-85(100)109-37-9-3-4-20-84(99)110-48-55-23-33-81(75(97)40-55)119-78-35-27-59-12-5-7-17-66(59)72(78)47-94)71(92(106)116-54-89(104)113-50-56-21-31-79(73(95)38-56)117-64-29-25-61-14-10-16-63(46-93)68(61)42-64)45-86(101)114-52-87(102)111-49-58-24-34-82(76(98)41-58)120-83-36-28-60-13-6-8-18-67(60)90(83)108-2;54-29-47-43-11-3-1-9-35(43)17-27-51(47)60-33-39(56)31-58-41-23-19-37(20-24-41)53(49-15-7-5-13-45(49)46-14-6-8-16-50(46)53)38-21-25-42(26-22-38)59-32-40(57)34-61-52-28-18-36-10-2-4-12-44(36)48(52)30-55;1-5-11-35-25-37(19-23-45(35)54-29-39(52)31-56-47-21-17-33-13-7-9-15-41(33)43(47)27-50)49(3,4)38-20-24-46(36(26-38)12-6-2)55-30-40(53)32-57-48-22-18-34-14-8-10-16-42(34)44(48)28-51/h5-8,10-19,25-30,35-36,42-43,46-47,55-58,70-71,73-76,79-82,95-98H,3-4,9,20-24,31-34,37-41,44-45,48-54H2,1-2H3;1-30,39-40,56-57H,31-34H2;5-10,13-28,39-40,52-53H,1-2,11-12,29-32H2,3-4H3.
What are the key properties of 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde?
3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde has a molecular weight of 3227.63 g/mol, XLogP of 30.25, 75 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-[2-[[4-(8-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-2-oxoethyl] 1-O-[6-[[4-(1-formylnaphthalen-2-yl)oxy-3-hydroxycyclohexyl]methoxy]-6-oxohexyl] 4-O-[2-[[3-hydroxy-4-(1-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] 2-O-[2-[[3-hydroxy-4-(8-methoxynaphthalen-2-yl)oxycyclohexyl]methoxy]-2-oxoethyl] butane-1,2,3,4-tetracarboxylate;2-[3-[4-[9-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]phenyl]fluoren-9-yl]phenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde;2-[3-[4-[2-[4-[3-(1-formylnaphthalen-2-yl)oxy-2-hydroxypropoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]-2-hydroxypropoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 167616479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).