(2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine

C40H85N3O11 — CID 142182625

About (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine

(2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine (PubChem CID 142182625) has the molecular formula C40H85N3O11 and a molecular weight of 784.13 g/mol. Its IUPAC name is (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine.

Molecular Properties

• Compound Name: (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine
• PubChem CID: 142182625
• Molecular Formula: C40H85N3O11
• Molecular Weight: 784.13 g/mol
• Exact Mass: 783.62
• IUPAC Name: (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine
• SMILES: CC.CCCNC.CCOC(O)CC(O)OC.CC[C@H]1OC(=O)C(C)C[C@H](C)[C@@H](OC2CC(N(C)C)CC(C)O2)[C@](C)(O)C[C@@H](C)CNC(C)C(O)C1O
• InChI: InChI=1S/C28H54N2O7.C6H14O4.C4H11N.C2H6/c1-10-22-25(32)24(31)20(6)29-15-16(2)14-28(7,34)26(17(3)11-18(4)27(33)36-22)37-23-13-21(30(8)9)12-19(5)35-23;1-3-10-6(8)4-5(7)9-2;1-3-4-5-2;1-2/h16-26,29,31-32,34H,10-15H2,1-9H3;5-8H,3-4H2,1-2H3;5H,3-4H2,1-2H3;1-2H3/t16-,17+,18?,19?,20?,21?,22-,23?,24?,25?,26-,28-;;;/m1.../s1
• InChIKey: RXBMSPOTBGXCPP-ADGWCIDLSA-N
• XLogP: 3.64
• TPSA: 191.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	784.13
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine?

The IUPAC name of (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine (CID 142182625) is (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine.

What is the SMILES notation for (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine?

The canonical SMILES for (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine is CC.CCCNC.CCOC(O)CC(O)OC.CC[C@H]1OC(=O)C(C)C[C@H](C)[C@@H](OC2CC(N(C)C)CC(C)O2)[C@](C)(O)C[C@@H](C)CNC(C)C(O)C1O.

What is the InChIKey of (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine?

The InChIKey is RXBMSPOTBGXCPP-ADGWCIDLSA-N. The full InChI is InChI=1S/C28H54N2O7.C6H14O4.C4H11N.C2H6/c1-10-22-25(32)24(31)20(6)29-15-16(2)14-28(7,34)26(17(3)11-18(4)27(33)36-22)37-23-13-21(30(8)9)12-19(5)35-23;1-3-10-6(8)4-5(7)9-2;1-3-4-5-2;1-2/h16-26,29,31-32,34H,10-15H2,1-9H3;5-8H,3-4H2,1-2H3;5H,3-4H2,1-2H3;1-2H3/t16-,17+,18?,19?,20?,21?,22-,23?,24?,25?,26-,28-;;;/m1.../s1.

What are the key properties of (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine?

(2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine has a molecular weight of 784.13 g/mol, XLogP of 3.64, 11 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine is sourced from PubChem (CID 142182625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).