[(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate

C141H175ClN16O44 — CID 158423652

About [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate

[(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate (PubChem CID 158423652) has the molecular formula C141H175ClN16O44 and a molecular weight of 2833.47 g/mol. Its IUPAC name is [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate.

Molecular Properties

• Compound Name: [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate
• PubChem CID: 158423652
• Molecular Formula: C141H175ClN16O44
• Molecular Weight: 2833.47 g/mol
• Exact Mass: 2831.16
• IUPAC Name: [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate
• SMILES: C=Cc1cc(C(=O)O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(C)OC(=O)OC(C)C)cc1CO.CC(C)(C)OC(=O)N1C[C@@H]2OC(C)(C)O[C@@H]2[C@H]1COC(=O)Oc1ccc([N+](=O)[O-])cc1.CC1(C)O[C@@H]2[C@@H](CO)CC[C@@H]2O1.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.[H]/N=C(/CC(=O)OC[C@@H]1[C@H]2OC(C)(C)O[C@H]2CN1C(=O)OC(C)(C)C)c1ccc(CC(=O)c2cc(C=C)c(C)cc2-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(C)OC(=O)OC(C)C)cc1.[H]/N=C(/NC(=O)OC[C@@H]1[C@H]2OC(C)(C)O[C@H]2CN1C(=O)OC(C)(C)C)c1ccc(N)cc1.[H]/N=C(\N)c1ccc(N)cc1
• InChI: InChI=1S/C50H60N4O13.C27H30N2O9.C21H30N4O6.C20H26N2O9.C9H16O3.C7H4ClNO4.C7H9N3/c1-11-32-22-36(35(20-28(32)4)34-18-19-38(45(57)52-24-31-12-13-31)53-43(34)46(58)63-29(5)64-48(60)62-27(2)3)40(55)21-30-14-16-33(17-15-30)37(51)23-42(56)61-26-39-44-41(65-50(9,10)66-44)25-54(39)47(59)67-49(6,7)8;1-5-17-10-21(25(32)33)20(11-18(17)13-30)19-8-9-22(24(31)28-12-16-6-7-16)29-23(19)26(34)37-15(4)38-27(35)36-14(2)3;1-20(2,3)31-19(27)25-10-15-16(30-21(4,5)29-15)14(25)11-28-18(26)24-17(23)12-6-8-13(22)9-7-12;1-19(2,3)31-17(23)21-10-15-16(30-20(4,5)29-15)14(21)11-27-18(24)28-13-8-6-12(7-9-13)22(25)26;1-9(2)11-7-4-3-6(5-10)8(7)12-9;8-7(10)13-6-3-1-5(2-4-6)9(11)12;8-6-3-1-5(2-4-6)7(9)10/h11,14-20,22,27,29,31,39,41,44,51H,1,12-13,21,23-26H2,2-10H3,(H,52,57);5,8-11,14-16,30H,1,6-7,12-13H2,2-4H3,(H,28,31)(H,32,33);6-9,14-16H,10-11,22H2,1-5H3,(H2,23,24,26);6-9,14-16H,10-11H2,1-5H3;6-8,10H,3-5H2,1-2H3;1-4H;1-4H,8H2,(H3,9,10)/b51-37-;;;;;;/t29?,39-,41+,44-;;2*14-,15+,16-;6-,7+,8-;;/m1.111../s1
• InChIKey: HAUCLXGMYRPADT-GGDYTFQFSA-N
• XLogP: 21.06
• TPSA: 827.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 50
• Rotatable Bonds: 39
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2833.47
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate?

The IUPAC name of [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate (CID 158423652) is [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate.

What is the SMILES notation for [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate?

The canonical SMILES for [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate is C=Cc1cc(C(=O)O)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(C)OC(=O)OC(C)C)cc1CO.CC(C)(C)OC(=O)N1C[C@@H]2OC(C)(C)O[C@@H]2[C@H]1COC(=O)Oc1ccc([N+](=O)[O-])cc1.CC1(C)O[C@@H]2[C@@H](CO)CC[C@@H]2O1.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.[H]/N=C(/CC(=O)OC[C@@H]1[C@H]2OC(C)(C)O[C@H]2CN1C(=O)OC(C)(C)C)c1ccc(CC(=O)c2cc(C=C)c(C)cc2-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC(C)OC(=O)OC(C)C)cc1.[H]/N=C(/NC(=O)OC[C@@H]1[C@H]2OC(C)(C)O[C@H]2CN1C(=O)OC(C)(C)C)c1ccc(N)cc1.[H]/N=C(\N)c1ccc(N)cc1.

What is the InChIKey of [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate?

The InChIKey is HAUCLXGMYRPADT-GGDYTFQFSA-N. The full InChI is InChI=1S/C50H60N4O13.C27H30N2O9.C21H30N4O6.C20H26N2O9.C9H16O3.C7H4ClNO4.C7H9N3/c1-11-32-22-36(35(20-28(32)4)34-18-19-38(45(57)52-24-31-12-13-31)53-43(34)46(58)63-29(5)64-48(60)62-27(2)3)40(55)21-30-14-16-33(17-15-30)37(51)23-42(56)61-26-39-44-41(65-50(9,10)66-44)25-54(39)47(59)67-49(6,7)8;1-5-17-10-21(25(32)33)20(11-18(17)13-30)19-8-9-22(24(31)28-12-16-6-7-16)29-23(19)26(34)37-15(4)38-27(35)36-14(2)3;1-20(2,3)31-19(27)25-10-15-16(30-21(4,5)29-15)14(25)11-28-18(26)24-17(23)12-6-8-13(22)9-7-12;1-19(2,3)31-17(23)21-10-15-16(30-20(4,5)29-15)14(21)11-27-18(24)28-13-8-6-12(7-9-13)22(25)26;1-9(2)11-7-4-3-6(5-10)8(7)12-9;8-7(10)13-6-3-1-5(2-4-6)9(11)12;8-6-3-1-5(2-4-6)7(9)10/h11,14-20,22,27,29,31,39,41,44,51H,1,12-13,21,23-26H2,2-10H3,(H,52,57);5,8-11,14-16,30H,1,6-7,12-13H2,2-4H3,(H,28,31)(H,32,33);6-9,14-16H,10-11,22H2,1-5H3,(H2,23,24,26);6-9,14-16H,10-11H2,1-5H3;6-8,10H,3-5H2,1-2H3;1-4H;1-4H,8H2,(H3,9,10)/b51-37-;;;;;;/t29?,39-,41+,44-;;2*14-,15+,16-;6-,7+,8-;;/m1.111../s1.

What are the key properties of [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate?

[(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate has a molecular weight of 2833.47 g/mol, XLogP of 21.06, 39 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;4-aminobenzenecarboximidamide;tert-butyl (3aR,4R,6aS)-4-[(4-aminobenzenecarboximidoyl)carbamoyloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-4-[[3-[4-[2-[2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-methylphenyl]-2-oxoethyl]phenyl]-3-iminopropanoyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;tert-butyl (3aR,4R,6aS)-2,2-dimethyl-4-[(4-nitrophenoxy)carbonyloxymethyl]-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate;2-[6-(cyclopropylmethylcarbamoyl)-2-(1-propan-2-yloxycarbonyloxyethoxycarbonyl)-3-pyridinyl]-5-ethenyl-4-(hydroxymethyl)benzoic acid;(4-nitrophenyl) carbonochloridate is sourced from PubChem (CID 158423652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).