(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide

C33H67NO5Si2 — CID 58762113

IUPAC(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
SMILESC=C/C=C\[C@H](C)C(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N(C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C33H67NO5Si2/c1-18-19-20-23(2)28(36)26(5)30(39-41(16,17)33(10,11)12)27(6)31(37)34(13)21-24(3)29(25(4)22-35)38-40(14,15)32(7,8)9/h18-20,23-30,35-36H,1,21-22H2,2-17H3/b20-19-/t23-,24-,25-,26?,27?,28?,29+,30?/m0/s1
InChIKeyDGRHBGRCJRRESR-ZRQWKXBPSA-N
MW614.07 g/mol
LogP7.50
Rot. Bonds16

About (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide

(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide (PubChem CID 58762113) has the molecular formula C33H67NO5Si2 and a molecular weight of 614.07 g/mol. Its IUPAC name is (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide.

Molecular Properties

Compound Name(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
PubChem CID58762113
Molecular FormulaC33H67NO5Si2
Molecular Weight614.07 g/mol
Exact Mass613.46
IUPAC Name(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
SMILESC=C/C=C\[C@H](C)C(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N(C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO
InChIInChI=1S/C33H67NO5Si2/c1-18-19-20-23(2)28(36)26(5)30(39-41(16,17)33(10,11)12)27(6)31(37)34(13)21-24(3)29(25(4)22-35)38-40(14,15)32(7,8)9/h18-20,23-30,35-36H,1,21-22H2,2-17H3/b20-19-/t23-,24-,25-,26?,27?,28?,29+,30?/m0/s1
InChIKeyDGRHBGRCJRRESR-ZRQWKXBPSA-N
XLogP7.50
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.07
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
CID 58762158
(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl]-5-[(4-methoxyphenyl)methoxy]-N,2,4,6-tetramethyldeca-7,9-dienamide
CID 58762099
methyl (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[[(3R,4S,5R,6S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5,7-trimethyl-2-oxoundeca-8,10-dienyl]amino]-4,6-dimethylhept-2-enoate
CID 173195031
(2S,3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-5-triethylsilyloxydeca-7,9-dien-1-ol
CID 57352136
(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol
CID 11474668
(2R,3R,4S,6S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-2,4,6,10,12-pentamethylhexadeca-13,15-dienal
CID 11387676
(2S,3R,4R,5R,6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyldeca-7,9-dien-1-ol
CID 59891908
methyl (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,23,25-pentaenoate
CID 87737248
(2R,3S,4R,5S,7S)-13-[[(2R,3S,4S,5S,6S)-5-carbamoyloxy-3-hydroxy-2,4,6-trimethyldeca-7,9-dienoyl]-methylamino]-3,5,7,11-tetrahydroxy-2,4,10,12-tetramethyltridec-8-enoic acid
CID 91380587
(2S,3S,4S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-6-ene-1,5-diol
CID 91516629
(2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid
CID 16733143
(3S,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctane-1,3,8-triol
CID 90954656

Frequently Asked Questions

What is the IUPAC name of (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide?
The IUPAC name of (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide (CID 58762113) is (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide.
What is the SMILES notation for (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide?
The canonical SMILES for (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide is C=C/C=C\[C@H](C)C(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N(C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO.
What is the InChIKey of (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide?
The InChIKey is DGRHBGRCJRRESR-ZRQWKXBPSA-N. The full InChI is InChI=1S/C33H67NO5Si2/c1-18-19-20-23(2)28(36)26(5)30(39-41(16,17)33(10,11)12)27(6)31(37)34(13)21-24(3)29(25(4)22-35)38-40(14,15)32(7,8)9/h18-20,23-30,35-36H,1,21-22H2,2-17H3/b20-19-/t23-,24-,25-,26?,27?,28?,29+,30?/m0/s1.
What are the key properties of (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide?
(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide has a molecular weight of 614.07 g/mol, XLogP of 7.50, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide is sourced from PubChem (CID 58762113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).