4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate

C161H182O58S6-6 — CID 162069343

IUPAC4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate
SMILESCC(C)c1cc(OC(=O)C2C3CC4C(OC(=O)C42)C3OC(=O)C23CC4CC(CC(C4)C2)C3)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1OC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C12CC3CC(CC(C3)C1)C2.O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)OCCCS(=O)(=O)[O-].O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)OCCS(=O)(=O)[O-].O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)Oc1ccc(S(=O)(=O)[O-])cc1.O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)Oc1ccc2cc(S(=O)(=O)[O-])ccc2c1
InChIInChI=1S/2C32H40O9S.C29H28O10S.C25H26O10S.C22H28O10S.C21H26O10S/c1-14(2)20-8-19(9-21(15(3)4)28(20)42(36,37)38)39-29(33)24-23-10-22-25(24)30(34)40-26(22)27(23)41-31(35)32-11-16-5-17(12-32)7-18(6-16)13-32;1-14(2)20-8-19(42(36,37)38)9-21(15(3)4)26(20)39-29(33)25-23-10-22-24(25)30(34)40-27(22)28(23)41-31(35)32-11-16-5-17(12-32)7-18(6-16)13-32;30-26(36-18-3-1-17-9-19(40(33,34)35)4-2-16(17)8-18)20-21-22-24(38-27(21)31)25(23(20)37-22)39-28(32)29-10-13-5-14(11-29)7-15(6-13)12-29;26-22(32-14-1-3-15(4-2-14)36(29,30)31)16-17-18-20(34-23(17)27)21(19(16)33-18)35-24(28)25-8-11-5-12(9-25)7-13(6-11)10-25;23-19(29-2-1-3-33(26,27)28)13-14-16-17(31-20(14)24)18(15(13)30-16)32-21(25)22-7-10-4-11(8-22)6-12(5-10)9-22;22-18(28-1-2-32(25,26)27)12-13-15-16(30-19(13)23)17(14(12)29-15)31-20(24)21-6-9-3-10(7-21)5-11(4-9)8-21/h8-9,14-18,22-27H,5-7,10-13H2,1-4H3,(H,36,37,38);8-9,14-18,22-25,27-28H,5-7,10-13H2,1-4H3,(H,36,37,38);1-4,8-9,13-15,20-25H,5-7,10-12H2,(H,33,34,35);1-4,11-13,16-21H,5-10H2,(H,29,30,31);10-18H,1-9H2,(H,26,27,28);9-17H,1-8H2,(H,25,26,27)/p-6
InChIKeyZAWFQCRFGJBGLT-UHFFFAOYSA-H
MW3237.57 g/mol
LogP14.31
Rot. Bonds37

About 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate

4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate (PubChem CID 162069343) has the molecular formula C161H182O58S6-6 and a molecular weight of 3237.57 g/mol. Its IUPAC name is 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate.

Molecular Properties

Compound Name4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate
PubChem CID162069343
Molecular FormulaC161H182O58S6-6
Molecular Weight3237.57 g/mol
Exact Mass3234.96
IUPAC Name4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate
SMILESCC(C)c1cc(OC(=O)C2C3CC4C(OC(=O)C42)C3OC(=O)C23CC4CC(CC(C4)C2)C3)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1OC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C12CC3CC(CC(C3)C1)C2.O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)OCCCS(=O)(=O)[O-].O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)OCCS(=O)(=O)[O-].O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)Oc1ccc(S(=O)(=O)[O-])cc1.O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)Oc1ccc2cc(S(=O)(=O)[O-])ccc2c1
InChIInChI=1S/2C32H40O9S.C29H28O10S.C25H26O10S.C22H28O10S.C21H26O10S/c1-14(2)20-8-19(9-21(15(3)4)28(20)42(36,37)38)39-29(33)24-23-10-22-25(24)30(34)40-26(22)27(23)41-31(35)32-11-16-5-17(12-32)7-18(6-16)13-32;1-14(2)20-8-19(42(36,37)38)9-21(15(3)4)26(20)39-29(33)25-23-10-22-24(25)30(34)40-27(22)28(23)41-31(35)32-11-16-5-17(12-32)7-18(6-16)13-32;30-26(36-18-3-1-17-9-19(40(33,34)35)4-2-16(17)8-18)20-21-22-24(38-27(21)31)25(23(20)37-22)39-28(32)29-10-13-5-14(11-29)7-15(6-13)12-29;26-22(32-14-1-3-15(4-2-14)36(29,30)31)16-17-18-20(34-23(17)27)21(19(16)33-18)35-24(28)25-8-11-5-12(9-25)7-13(6-11)10-25;23-19(29-2-1-3-33(26,27)28)13-14-16-17(31-20(14)24)18(15(13)30-16)32-21(25)22-7-10-4-11(8-22)6-12(5-10)9-22;22-18(28-1-2-32(25,26)27)12-13-15-16(30-19(13)23)17(14(12)29-15)31-20(24)21-6-9-3-10(7-21)5-11(4-9)8-21/h8-9,14-18,22-27H,5-7,10-13H2,1-4H3,(H,36,37,38);8-9,14-18,22-25,27-28H,5-7,10-13H2,1-4H3,(H,36,37,38);1-4,8-9,13-15,20-25H,5-7,10-12H2,(H,33,34,35);1-4,11-13,16-21H,5-10H2,(H,29,30,31);10-18H,1-9H2,(H,26,27,28);9-17H,1-8H2,(H,25,26,27)/p-6
InChIKeyZAWFQCRFGJBGLT-UHFFFAOYSA-H
XLogP14.31
TPSA853.52 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds37
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003237.57
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate?
The IUPAC name of 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate (CID 162069343) is 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate.
What is the SMILES notation for 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate?
The canonical SMILES for 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate is CC(C)c1cc(OC(=O)C2C3CC4C(OC(=O)C42)C3OC(=O)C23CC4CC(CC(C4)C2)C3)cc(C(C)C)c1S(=O)(=O)[O-].CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1OC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C12CC3CC(CC(C3)C1)C2.O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)OCCCS(=O)(=O)[O-].O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)OCCS(=O)(=O)[O-].O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)Oc1ccc(S(=O)(=O)[O-])cc1.O=C1OC2C(OC(=O)C34CC5CC(CC(C5)C3)C4)C3OC2C1C3C(=O)Oc1ccc2cc(S(=O)(=O)[O-])ccc2c1.
What is the InChIKey of 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate?
The InChIKey is ZAWFQCRFGJBGLT-UHFFFAOYSA-H. The full InChI is InChI=1S/2C32H40O9S.C29H28O10S.C25H26O10S.C22H28O10S.C21H26O10S/c1-14(2)20-8-19(9-21(15(3)4)28(20)42(36,37)38)39-29(33)24-23-10-22-25(24)30(34)40-26(22)27(23)41-31(35)32-11-16-5-17(12-32)7-18(6-16)13-32;1-14(2)20-8-19(42(36,37)38)9-21(15(3)4)26(20)39-29(33)25-23-10-22-24(25)30(34)40-27(22)28(23)41-31(35)32-11-16-5-17(12-32)7-18(6-16)13-32;30-26(36-18-3-1-17-9-19(40(33,34)35)4-2-16(17)8-18)20-21-22-24(38-27(21)31)25(23(20)37-22)39-28(32)29-10-13-5-14(11-29)7-15(6-13)12-29;26-22(32-14-1-3-15(4-2-14)36(29,30)31)16-17-18-20(34-23(17)27)21(19(16)33-18)35-24(28)25-8-11-5-12(9-25)7-13(6-11)10-25;23-19(29-2-1-3-33(26,27)28)13-14-16-17(31-20(14)24)18(15(13)30-16)32-21(25)22-7-10-4-11(8-22)6-12(5-10)9-22;22-18(28-1-2-32(25,26)27)12-13-15-16(30-19(13)23)17(14(12)29-15)31-20(24)21-6-9-3-10(7-21)5-11(4-9)8-21/h8-9,14-18,22-27H,5-7,10-13H2,1-4H3,(H,36,37,38);8-9,14-18,22-25,27-28H,5-7,10-13H2,1-4H3,(H,36,37,38);1-4,8-9,13-15,20-25H,5-7,10-12H2,(H,33,34,35);1-4,11-13,16-21H,5-10H2,(H,29,30,31);10-18H,1-9H2,(H,26,27,28);9-17H,1-8H2,(H,25,26,27)/p-6.
What are the key properties of 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate?
4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate has a molecular weight of 3237.57 g/mol, XLogP of 14.31, 37 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxybenzenesulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonate;6-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxynaphthalene-2-sulfonate;3-[2-(adamantane-1-carbonyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxypropane-1-sulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-2,6-di(propan-2-yl)benzenesulfonate;4-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-3,5-di(propan-2-yl)benzenesulfonate is sourced from PubChem (CID 162069343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).