[11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate

C35H48ClN3O14 — CID 74080830

About [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate

[11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate (PubChem CID 74080830) has the molecular formula C35H48ClN3O14 and a molecular weight of 770.23 g/mol. Its IUPAC name is [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate.

Molecular Properties

• Compound Name: [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate
• PubChem CID: 74080830
• Molecular Formula: C35H48ClN3O14
• Molecular Weight: 770.23 g/mol
• Exact Mass: 769.28
• IUPAC Name: [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate
• SMILES: CNC(=O)OC1CC(=O)N(C2OC(CO)C(O)C(OC)C2O)c2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C
• InChI: InChI=1S/C35H48ClN3O14/c1-16-8-7-9-23(48-5)35(47)14-21(51-33(46)38-35)17(2)30-34(3,53-30)24(52-32(45)37-4)13-25(42)39(19-11-18(10-16)12-20(41)26(19)36)31-28(44)29(49-6)27(43)22(15-40)50-31/h7-9,11-12,17,21-24,27-31,40-41,43-44,47H,10,13-15H2,1-6H3,(H,37,45)(H,38,46)
• InChIKey: AMRKIGVGIHRFNY-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 238.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	770.23
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate?

The IUPAC name of [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate (CID 74080830) is [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate.

What is the SMILES notation for [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate?

The canonical SMILES for [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate is CNC(=O)OC1CC(=O)N(C2OC(CO)C(O)C(OC)C2O)c2cc(cc(O)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C.

What is the InChIKey of [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate?

The InChIKey is AMRKIGVGIHRFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48ClN3O14/c1-16-8-7-9-23(48-5)35(47)14-21(51-33(46)38-35)17(2)30-34(3,53-30)24(52-32(45)37-4)13-25(42)39(19-11-18(10-16)12-20(41)26(19)36)31-28(44)29(49-6)27(43)22(15-40)50-31/h7-9,11-12,17,21-24,27-31,40-41,43-44,47H,10,13-15H2,1-6H3,(H,37,45)(H,38,46).

What are the key properties of [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate?

[11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate has a molecular weight of 770.23 g/mol, XLogP of 1.00, 5 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [11-chloro-9-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate is sourced from PubChem (CID 74080830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).