(6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione

C30H46N2O6S — CID 90759154

About (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione

(6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione (PubChem CID 90759154) has the molecular formula C30H46N2O6S and a molecular weight of 562.77 g/mol. Its IUPAC name is (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione.

Molecular Properties

• Compound Name: (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione
• PubChem CID: 90759154
• Molecular Formula: C30H46N2O6S
• Molecular Weight: 562.77 g/mol
• Exact Mass: 562.31
• IUPAC Name: (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione
• SMILES: CC1=CC[C@@H](C(C)=Cc2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CC2ON(C)CC2C1
• InChI: InChI=1S/C30H46N2O6S/c1-17-9-10-24(18(2)12-23-16-39-21(5)31-23)37-27(34)14-26(33)30(6,7)29(36)20(4)28(35)19(3)13-25-22(11-17)15-32(8)38-25/h9,12,16,19-20,22,24-26,28,33,35H,10-11,13-15H2,1-8H3/t19-,20+,22?,24-,25?,26-,28-/m0/s1
• InChIKey: DTOGNXCGAUVHIG-HWRZSLMUSA-N
• XLogP: 4.74
• TPSA: 109.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.77
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione?

The IUPAC name of (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione (CID 90759154) is (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione.

What is the SMILES notation for (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione?

The canonical SMILES for (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione is CC1=CC[C@@H](C(C)=Cc2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CC2ON(C)CC2C1.

What is the InChIKey of (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione?

The InChIKey is DTOGNXCGAUVHIG-HWRZSLMUSA-N. The full InChI is InChI=1S/C30H46N2O6S/c1-17-9-10-24(18(2)12-23-16-39-21(5)31-23)37-27(34)14-26(33)30(6,7)29(36)20(4)28(35)19(3)13-25-22(11-17)15-32(8)38-25/h9,12,16,19-20,22,24-26,28,33,35H,10-11,13-15H2,1-8H3/t19-,20+,22?,24-,25?,26-,28-/m0/s1.

What are the key properties of (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione?

(6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione has a molecular weight of 562.77 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,10S,13R,14S,15S)-10,14-dihydroxy-3,11,11,13,15,19-hexamethyl-6-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,18-dioxa-19-azabicyclo[15.3.0]icos-3-ene-8,12-dione is sourced from PubChem (CID 90759154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).