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

C43H45F12NO6P2Si — CID 10772326

IUPACN-[(2R,3R,4R,5R,6R)-4,5-bis[bis[4-(trifluoromethyl)phenyl]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(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@H](OP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@H]1NC(C)=O
InChIInChI=1S/C43H45F12NO6P2Si/c1-25(57)56-35-37(62-64(32-20-12-28(13-21-32)42(50,51)52)33-22-14-29(15-23-33)43(53,54)55)36(34(60-38(35)58-5)24-59-65(6,7)39(2,3)4)61-63(30-16-8-26(9-17-30)40(44,45)46)31-18-10-27(11-19-31)41(47,48)49/h8-23,34-38H,24H2,1-7H3,(H,56,57)/t34-,35-,36-,37-,38-/m1/s1
InChIKeyZKGXNSGHNSSOHF-OHTWKVNYSA-N
MW989.84 g/mol
LogP10.83
Rot. Bonds13

About 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

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 (PubChem CID 10772326) has the molecular formula C43H45F12NO6P2Si and a molecular weight of 989.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R,6R)-4,5-bis[bis[4-(trifluoromethyl)phenyl]phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
PubChem CID10772326
Molecular FormulaC43H45F12NO6P2Si
Molecular Weight989.84 g/mol
Exact Mass989.23
IUPAC NameN-[(2R,3R,4R,5R,6R)-4,5-bis[bis[4-(trifluoromethyl)phenyl]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(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@H](OP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@H]1NC(C)=O
InChIInChI=1S/C43H45F12NO6P2Si/c1-25(57)56-35-37(62-64(32-20-12-28(13-21-32)42(50,51)52)33-22-14-29(15-23-33)43(53,54)55)36(34(60-38(35)58-5)24-59-65(6,7)39(2,3)4)61-63(30-16-8-26(9-17-30)40(44,45)46)31-18-10-27(11-19-31)41(47,48)49/h8-23,34-38H,24H2,1-7H3,(H,56,57)/t34-,35-,36-,37-,38-/m1/s1
InChIKeyZKGXNSGHNSSOHF-OHTWKVNYSA-N
XLogP10.83
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.84
LogP ≤ 510.83
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,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-[(4aR,6S,7R,8R,8aR)-8-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 101154992
N-[(4aR,6S,7R,8S,8aR)-8-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 101154994
N-[(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]-2,2,2-trifluoroacetamide
CID 101154995
N-[(4aR,6S,7R,8R,8aS)-6-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trifluoroacetamide
CID 102223978
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,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
CID 10986010

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@H](OP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)[C@H]1NC(C)=O.
What is the InChIKey of 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?
The InChIKey is ZKGXNSGHNSSOHF-OHTWKVNYSA-N. The full InChI is InChI=1S/C43H45F12NO6P2Si/c1-25(57)56-35-37(62-64(32-20-12-28(13-21-32)42(50,51)52)33-22-14-29(15-23-33)43(53,54)55)36(34(60-38(35)58-5)24-59-65(6,7)39(2,3)4)61-63(30-16-8-26(9-17-30)40(44,45)46)31-18-10-27(11-19-31)41(47,48)49/h8-23,34-38H,24H2,1-7H3,(H,56,57)/t34-,35-,36-,37-,38-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 989.84 g/mol, XLogP of 10.83, 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[4-(trifluoromethyl)phenyl]phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 10772326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).