(3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine

C110H129F9N14O38 — CID 159092359

About (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine

(3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine (PubChem CID 159092359) has the molecular formula C110H129F9N14O38 and a molecular weight of 2426.28 g/mol. Its IUPAC name is (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

• Compound Name: (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine
• PubChem CID: 159092359
• Molecular Formula: C110H129F9N14O38
• Molecular Weight: 2426.28 g/mol
• Exact Mass: 2424.84
• IUPAC Name: (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine
• SMILES: CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COC[C@H]21.CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COC[C@H]21.COC(=O)c1cn([C@H]2COC[C@H]2NC(=O)OCc2ccccc2)c(C)c(OC)c1=O.COC(=O)c1cn2c(c(OC)c1=O)C(=O)N(C)[C@@H]1COC[C@@H]12.COC(=O)c1coc(C)c(OC)c1=O.C[C@@H]1COC[C@@H]1N.C[C@@H]1COC[C@@H]1N.C[C@@H]1COC[C@H]1O.NCc1c(F)cc(F)cc1F.N[C@@H]1COC[C@H]1O.O=C=O.O=C=O
• InChI: InChI=1S/C21H24N2O7.2C19H16F3N3O5.C14H16N2O6.C9H10O5.C7H6F3N.2C5H11NO.C5H10O2.C4H9NO2.2CO2/c1-13-19(27-2)18(24)15(20(25)28-3)9-23(13)17-12-29-11-16(17)22-21(26)30-10-14-7-5-4-6-8-14;2*1-24-13-6-30-7-14(13)25-5-10(16(26)17(27)15(25)19(24)29)18(28)23-4-9-11(21)2-8(20)3-12(9)22;1-15-8-5-22-6-9(8)16-4-7(14(19)21-3)11(17)12(20-2)10(16)13(15)18;1-5-8(12-2)7(10)6(4-14-5)9(11)13-3;8-4-1-6(9)5(3-11)7(10)2-4;3*1-4-2-7-3-5(4)6;5-3-1-7-2-4(3)6;2*2-1-3/h4-9,16-17H,10-12H2,1-3H3,(H,22,26);2*2-3,5,13-14,27H,4,6-7H2,1H3,(H,23,28);4,8-9H,5-6H2,1-3H3;4H,1-3H3;1-2H,3,11H2;2*4-5H,2-3,6H2,1H3;4-6H,2-3H2,1H3;3-4,6H,1-2,5H2;;/t16-,17+;2*13-,14+;8-,9+;;;2*4-,5+;4-,5-;3-,4-;;/m1111..1111../s1
• InChIKey: KCFMUVNXIHJGQL-LKUQTZMXSA-N
• XLogP: 3.16
• TPSA: 709.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 46
• Rotatable Bonds: 17
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2426.28
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine?

The IUPAC name of (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine (CID 159092359) is (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine.

What is the SMILES notation for (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine?

The canonical SMILES for (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine is CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COC[C@H]21.CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn2[C@H]2COC[C@H]21.COC(=O)c1cn([C@H]2COC[C@H]2NC(=O)OCc2ccccc2)c(C)c(OC)c1=O.COC(=O)c1cn2c(c(OC)c1=O)C(=O)N(C)[C@@H]1COC[C@@H]12.COC(=O)c1coc(C)c(OC)c1=O.C[C@@H]1COC[C@@H]1N.C[C@@H]1COC[C@@H]1N.C[C@@H]1COC[C@H]1O.NCc1c(F)cc(F)cc1F.N[C@@H]1COC[C@H]1O.O=C=O.O=C=O.

What is the InChIKey of (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine?

The InChIKey is KCFMUVNXIHJGQL-LKUQTZMXSA-N. The full InChI is InChI=1S/C21H24N2O7.2C19H16F3N3O5.C14H16N2O6.C9H10O5.C7H6F3N.2C5H11NO.C5H10O2.C4H9NO2.2CO2/c1-13-19(27-2)18(24)15(20(25)28-3)9-23(13)17-12-29-11-16(17)22-21(26)30-10-14-7-5-4-6-8-14;2*1-24-13-6-30-7-14(13)25-5-10(16(26)17(27)15(25)19(24)29)18(28)23-4-9-11(21)2-8(20)3-12(9)22;1-15-8-5-22-6-9(8)16-4-7(14(19)21-3)11(17)12(20-2)10(16)13(15)18;1-5-8(12-2)7(10)6(4-14-5)9(11)13-3;8-4-1-6(9)5(3-11)7(10)2-4;3*1-4-2-7-3-5(4)6;5-3-1-7-2-4(3)6;2*2-1-3/h4-9,16-17H,10-12H2,1-3H3,(H,22,26);2*2-3,5,13-14,27H,4,6-7H2,1H3,(H,23,28);4,8-9H,5-6H2,1-3H3;4H,1-3H3;1-2H,3,11H2;2*4-5H,2-3,6H2,1H3;4-6H,2-3H2,1H3;3-4,6H,1-2,5H2;;/t16-,17+;2*13-,14+;8-,9+;;;2*4-,5+;4-,5-;3-,4-;;/m1111..1111../s1.

What are the key properties of (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine?

(3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine has a molecular weight of 2426.28 g/mol, XLogP of 3.16, 17 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-4-aminooxolan-3-ol;bis(carbon dioxide);bis((2R,6S)-10-hydroxy-7-methyl-8,11-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide);methyl (2R,6S)-10-methoxy-7-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate;methyl 5-methoxy-6-methyl-4-oxo-1-[(3R,4S)-4-(phenylmethoxycarbonylamino)oxolan-3-yl]pyridine-3-carboxylate;methyl 5-methoxy-6-methyl-4-oxopyran-3-carboxylate;bis((3R,4S)-4-methyloxolan-3-amine);(3S,4R)-4-methyloxolan-3-ol;(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 159092359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).