N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide

C47H65NO6P2Si — CID 10986010

IUPACN-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H]1NC(C)=O
InChIInChI=1S/C47H65NO6P2Si/c1-29-16-30(2)21-38(20-29)55(39-22-31(3)17-32(4)23-39)53-44-42(28-51-57(14,15)47(10,11)12)52-46(50-13)43(48-37(9)49)45(44)54-56(40-24-33(5)18-34(6)25-40)41-26-35(7)19-36(8)27-41/h16-27,42-46H,28H2,1-15H3,(H,48,49)/t42-,43-,44-,45-,46-/m1/s1
InChIKeyLRTDQGLHFNXWQO-SXRASJEMSA-N
MW830.07 g/mol
LogP9.22
Rot. Bonds13

About N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide

N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide (PubChem CID 10986010) has the molecular formula C47H65NO6P2Si and a molecular weight of 830.07 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
PubChem CID10986010
Molecular FormulaC47H65NO6P2Si
Molecular Weight830.07 g/mol
Exact Mass829.41
IUPAC NameN-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H]1NC(C)=O
InChIInChI=1S/C47H65NO6P2Si/c1-29-16-30(2)21-38(20-29)55(39-22-31(3)17-32(4)23-39)53-44-42(28-51-57(14,15)47(10,11)12)52-46(50-13)43(48-37(9)49)45(44)54-56(40-24-33(5)18-34(6)25-40)41-26-35(7)19-36(8)27-41/h16-27,42-46H,28H2,1-15H3,(H,48,49)/t42-,43-,44-,45-,46-/m1/s1
InChIKeyLRTDQGLHFNXWQO-SXRASJEMSA-N
XLogP9.22
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.07
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,4aR,6S,7R,8S,8aR)-8-bis(3,5-dimethylphenyl)phosphanyloxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11239119
N-[(2R,3R,4R,5R,6R)-4,5-bis[bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
CID 10630221
N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-difluorophenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
CID 10653190
N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(4-fluorophenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
CID 10747860
N-[(2R,3R,4R,5R,6R)-4,5-bis[bis[4-(trifluoromethyl)phenyl]phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
CID 10772326
N-[(2R,3R,4R,5R,6R)-4,5-bis[bis[3,5-bis(trimethylsilyl)phenyl]phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
CID 10630242
N-[(2R,3R,4R,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(diphenylphosphanyloxy)-2-methoxyoxan-3-yl]acetamide
CID 10676345
N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
CID 10986009
N-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-dimethoxyphosphorylethyl)-4-(phenylmethoxymethoxy)-2-[(1S,2R)-1,2,3-tris(phenylmethoxymethoxy)propyl]oxan-3-yl]acetamide
CID 11586136
N-[(2S,3R,4R,5S,6R)-2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-prop-2-enoxypropan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 21579344
N-[(2S,3R,4R,5S,6R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[di(propan-2-yl)amino]-phenylmethoxyphosphanyl]oxypropan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 23250972
N-[(4aR,6R,7R,8R,8aR)-8-bis(3,5-dimethylphenyl)phosphanyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 101154989

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide (CID 10986010) is N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide is CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide?
The InChIKey is LRTDQGLHFNXWQO-SXRASJEMSA-N. The full InChI is InChI=1S/C47H65NO6P2Si/c1-29-16-30(2)21-38(20-29)55(39-22-31(3)17-32(4)23-39)53-44-42(28-51-57(14,15)47(10,11)12)52-46(50-13)43(48-37(9)49)45(44)54-56(40-24-33(5)18-34(6)25-40)41-26-35(7)19-36(8)27-41/h16-27,42-46H,28H2,1-15H3,(H,48,49)/t42-,43-,44-,45-,46-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide?
N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide has a molecular weight of 830.07 g/mol, XLogP of 9.22, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 10986010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).