(6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione

C30H41NO8 — CID 6636465

IUPAC(6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
SMILESCO[C@H]1COC(=O)[C@@H]2CCCN2C(=O)CC=C[C@@H](C)[C@H](OC)COC(=O)[C@@H](OCc2ccccc2)C=C[C@@H]1C
InChIInChI=1S/C30H41NO8/c1-21-10-8-14-28(32)31-17-9-13-24(31)29(33)38-19-27(36-4)22(2)15-16-25(30(34)39-20-26(21)35-3)37-18-23-11-6-5-7-12-23/h5-8,10-12,15-16,21-22,24-27H,9,13-14,17-20H2,1-4H3/t21-,22+,24+,25+,26-,27+/m1/s1
InChIKeyBSNPSCNZVCCRLH-QBFVLSMSSA-N
MW543.66 g/mol
LogP3.47
Rot. Bonds5

About (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione

(6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione (PubChem CID 6636465) has the molecular formula C30H41NO8 and a molecular weight of 543.66 g/mol. Its IUPAC name is (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione.

Molecular Properties

Compound Name(6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
PubChem CID6636465
Molecular FormulaC30H41NO8
Molecular Weight543.66 g/mol
Exact Mass543.28
IUPAC Name(6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
SMILESCO[C@H]1COC(=O)[C@@H]2CCCN2C(=O)CC=C[C@@H](C)[C@H](OC)COC(=O)[C@@H](OCc2ccccc2)C=C[C@@H]1C
InChIInChI=1S/C30H41NO8/c1-21-10-8-14-28(32)31-17-9-13-24(31)29(33)38-19-27(36-4)22(2)15-16-25(30(34)39-20-26(21)35-3)37-18-23-11-6-5-7-12-23/h5-8,10-12,15-16,21-22,24-27H,9,13-14,17-20H2,1-4H3/t21-,22+,24+,25+,26-,27+/m1/s1
InChIKeyBSNPSCNZVCCRLH-QBFVLSMSSA-N
XLogP3.47
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.66
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
The IUPAC name of (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione (CID 6636465) is (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione.
What is the SMILES notation for (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
The canonical SMILES for (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione is CO[C@H]1COC(=O)[C@@H]2CCCN2C(=O)CC=C[C@@H](C)[C@H](OC)COC(=O)[C@@H](OCc2ccccc2)C=C[C@@H]1C.
What is the InChIKey of (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
The InChIKey is BSNPSCNZVCCRLH-QBFVLSMSSA-N. The full InChI is InChI=1S/C30H41NO8/c1-21-10-8-14-28(32)31-17-9-13-24(31)29(33)38-19-27(36-4)22(2)15-16-25(30(34)39-20-26(21)35-3)37-18-23-11-6-5-7-12-23/h5-8,10-12,15-16,21-22,24-27H,9,13-14,17-20H2,1-4H3/t21-,22+,24+,25+,26-,27+/m1/s1.
What are the key properties of (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione?
(6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione has a molecular weight of 543.66 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,11S,14S,15R,19S)-7,15-dimethoxy-6,14-dimethyl-11-phenylmethoxy-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione is sourced from PubChem (CID 6636465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).