(2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide

C30H47NO4Sn — CID 10531712

IUPAC(2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide
SMILESC/C=C/C=C/C=C/C=C/C(=O)NC1=C[C@@](O)(/C=C/[Sn](CCCC)(CCCC)CCCC)[C@H](O)CC1=O
InChIInChI=1S/C18H20NO4.3C4H9.Sn/c1-3-5-6-7-8-9-10-11-17(22)19-14-13-18(23,4-2)16(21)12-15(14)20;3*1-3-4-2;/h2-11,13,16,21,23H,12H2,1H3,(H,19,22);3*1,3-4H2,2H3;/b4-2?,5-3+,7-6+,9-8+,11-10+;;;;/t16-,18+;;;;/m1..../s1
InChIKeySKOCTIATMSEHBM-JZTUQUQPSA-N
MW604.42 g/mol
LogP6.24
Rot. Bonds16

About (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide (PubChem CID 10531712) has the molecular formula C30H47NO4Sn and a molecular weight of 604.42 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide
PubChem CID10531712
Molecular FormulaC30H47NO4Sn
Molecular Weight604.42 g/mol
Exact Mass605.25
IUPAC Name(2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide
SMILESC/C=C/C=C/C=C/C=C/C(=O)NC1=C[C@@](O)(/C=C/[Sn](CCCC)(CCCC)CCCC)[C@H](O)CC1=O
InChIInChI=1S/C18H20NO4.3C4H9.Sn/c1-3-5-6-7-8-9-10-11-17(22)19-14-13-18(23,4-2)16(21)12-15(14)20;3*1-3-4-2;/h2-11,13,16,21,23H,12H2,1H3,(H,19,22);3*1,3-4H2,2H3;/b4-2?,5-3+,7-6+,9-8+,11-10+;;;;/t16-,18+;;;;/m1..../s1
InChIKeySKOCTIATMSEHBM-JZTUQUQPSA-N
XLogP6.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.42
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide with MolForge

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Related Compounds

Daryamide A
CID 16099480
Tmc-1 C
CID 10030158
Tmc-1 D
CID 10098804
Tmc-1 A
CID 10391691
Tmc-1 B
CID 10481513
Manumycin D
CID 58017777
N-[3,4-dihydroxy-3-[7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-2,4-dimethyloct-2-enamide
CID 85129991
(2E,4E,6R)-N-[(3R,4S)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-2,4,6-trimethyldeca-2,4-dienamide
CID 101658978
Asukamycin A-II
CID 101716423
Asukamycin B-II
CID 101716424
Asukamycin C-II
CID 101716426
Asukamycin D-II
CID 101716427

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide (CID 10531712) is (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide is C/C=C/C=C/C=C/C=C/C(=O)NC1=C[C@@](O)(/C=C/[Sn](CCCC)(CCCC)CCCC)[C@H](O)CC1=O.
What is the InChIKey of (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide?
The InChIKey is SKOCTIATMSEHBM-JZTUQUQPSA-N. The full InChI is InChI=1S/C18H20NO4.3C4H9.Sn/c1-3-5-6-7-8-9-10-11-17(22)19-14-13-18(23,4-2)16(21)12-15(14)20;3*1-3-4-2;/h2-11,13,16,21,23H,12H2,1H3,(H,19,22);3*1,3-4H2,2H3;/b4-2?,5-3+,7-6+,9-8+,11-10+;;;;/t16-,18+;;;;/m1..../s1.
What are the key properties of (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide has a molecular weight of 604.42 g/mol, XLogP of 6.24, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N-[(3R,4R)-3,4-dihydroxy-6-oxo-3-[(E)-2-tributylstannylethenyl]cyclohexen-1-yl]deca-2,4,6,8-tetraenamide is sourced from PubChem (CID 10531712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).