2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane

C42H83N3O9 — CID 143275425

About 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane

2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane (PubChem CID 143275425) has the molecular formula C42H83N3O9 and a molecular weight of 774.14 g/mol. Its IUPAC name is 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane.

Molecular Properties

• Compound Name: 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane
• PubChem CID: 143275425
• Molecular Formula: C42H83N3O9
• Molecular Weight: 774.14 g/mol
• Exact Mass: 773.61
• IUPAC Name: 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane
• SMILES: CC.CC1CCOC(C)C1.CC[C@H]1OC(=O)C(C)[C@@H](OC)[C@H](C)[C@@H](OC2CC(N(C)C)CC(C)O2)[C@@H](C)CCCN(CC#N)C(C)C(O)[C@]1(C)O.COC
• InChI: InChI=1S/C31H57N3O7.C7H14O.C2H6O.C2H6/c1-11-25-31(7,37)29(35)23(6)34(16-14-32)15-12-13-19(2)27(21(4)28(38-10)22(5)30(36)40-25)41-26-18-24(33(8)9)17-20(3)39-26;1-6-3-4-8-7(2)5-6;1-3-2;1-2/h19-29,35,37H,11-13,15-18H2,1-10H3;6-7H,3-5H2,1-2H3;1-2H3;1-2H3/t19-,20?,21+,22?,23?,24?,25+,26?,27-,28-,29?,31+;;;/m0.../s1
• InChIKey: DHDLHCXZXRBQFQ-LIEMKKHRSA-N
• XLogP: 6.30
• TPSA: 143.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	774.14
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane?

The IUPAC name of 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane (CID 143275425) is 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane.

What is the SMILES notation for 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane?

The canonical SMILES for 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane is CC.CC1CCOC(C)C1.CC[C@H]1OC(=O)C(C)[C@@H](OC)[C@H](C)[C@@H](OC2CC(N(C)C)CC(C)O2)[C@@H](C)CCCN(CC#N)C(C)C(O)[C@]1(C)O.COC.

What is the InChIKey of 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane?

The InChIKey is DHDLHCXZXRBQFQ-LIEMKKHRSA-N. The full InChI is InChI=1S/C31H57N3O7.C7H14O.C2H6O.C2H6/c1-11-25-31(7,37)29(35)23(6)34(16-14-32)15-12-13-19(2)27(21(4)28(38-10)22(5)30(36)40-25)41-26-18-24(33(8)9)17-20(3)39-26;1-6-3-4-8-7(2)5-6;1-3-2;1-2/h19-29,35,37H,11-13,15-18H2,1-10H3;6-7H,3-5H2,1-2H3;1-2H3;1-2H3/t19-,20?,21+,22?,23?,24?,25+,26?,27-,28-,29?,31+;;;/m0.../s1.

What are the key properties of 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane?

2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane has a molecular weight of 774.14 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane is sourced from PubChem (CID 143275425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).