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

C63H113NO6P2Si9 — CID 10630242

IUPACN-[(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
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)[C@H](OP(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)[C@H]1NC(C)=O
InChIInChI=1S/C63H113NO6P2Si9/c1-45(65)64-59-61(70-72(48-36-54(77(18,19)20)42-55(37-48)78(21,22)23)49-38-56(79(24,25)26)43-57(39-49)80(27,28)29)60(58(68-62(59)66-5)44-67-81(30,31)63(2,3)4)69-71(46-32-50(73(6,7)8)40-51(33-46)74(9,10)11)47-34-52(75(12,13)14)41-53(35-47)76(15,16)17/h32-43,58-62H,44H2,1-31H3,(H,64,65)/t58-,59-,60-,61-,62-/m1/s1
InChIKeyDKLXZRXJEXNDRX-WQHPZBICSA-N
MW1295.32 g/mol
LogP11.11
Rot. Bonds21

About 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

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 (PubChem CID 10630242) has the molecular formula C63H113NO6P2Si9 and a molecular weight of 1295.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID10630242
Molecular FormulaC63H113NO6P2Si9
Molecular Weight1295.32 g/mol
Exact Mass1293.60
IUPAC NameN-[(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
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)[C@H](OP(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)[C@H]1NC(C)=O
InChIInChI=1S/C63H113NO6P2Si9/c1-45(65)64-59-61(70-72(48-36-54(77(18,19)20)42-55(37-48)78(21,22)23)49-38-56(79(24,25)26)43-57(39-49)80(27,28)29)60(58(68-62(59)66-5)44-67-81(30,31)63(2,3)4)69-71(46-32-50(73(6,7)8)40-51(33-46)74(9,10)11)47-34-52(75(12,13)14)41-53(35-47)76(15,16)17/h32-43,58-62H,44H2,1-31H3,(H,64,65)/t58-,59-,60-,61-,62-/m1/s1
InChIKeyDKLXZRXJEXNDRX-WQHPZBICSA-N
XLogP11.11
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.32
LogP ≤ 511.11
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

TBDPS(-3)[TBDPS(-6)]Galf2NAc5Ac(b)-O-TBDPS
CID 11491561
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
TfaNH(-2d)[TMS(-3)][TMS(-4)][TMS(-6)]Glc(b)-O-TBDPS
CID 102223977
N-[(4aR,6S,7R,8R,8aS)-2,2-ditert-butyl-8-[tert-butyl(diphenyl)silyl]oxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]-2,2,2-trifluoroacetamide
CID 177474340
N-[(2R,4R,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S,4S,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2-prop-2-enoxyoxan-3-yl]acetamide
CID 58153210
2-(Acetylamino)-2-deoxy-6-O-[(1,1-dimethylethyl)diphenylsilyl]-1,3:4,5-bis-O-(1-methylethylidene)-D-mannitol
CID 69655539
N-[(2R,5R)-4,5-dibutoxy-6-(butoxymethyl)-2-[5-[hydroxy(diphenyl)silyl]-5-methylhexoxy]oxan-3-yl]acetamide
CID 71130913
N-[(2R,4R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S,4S,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2-prop-2-enoxyoxan-3-yl]acetamide
CID 88974956
N-[(2R,4R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S,4S,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2-prop-2-enoxyoxan-3-yl]acetamide;iodomethane
CID 123499090

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)[C@H](OP(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)[C@H]1NC(C)=O.
What is the InChIKey of 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?
The InChIKey is DKLXZRXJEXNDRX-WQHPZBICSA-N. The full InChI is InChI=1S/C63H113NO6P2Si9/c1-45(65)64-59-61(70-72(48-36-54(77(18,19)20)42-55(37-48)78(21,22)23)49-38-56(79(24,25)26)43-57(39-49)80(27,28)29)60(58(68-62(59)66-5)44-67-81(30,31)63(2,3)4)69-71(46-32-50(73(6,7)8)40-51(33-46)74(9,10)11)47-34-52(75(12,13)14)41-53(35-47)76(15,16)17/h32-43,58-62H,44H2,1-31H3,(H,64,65)/t58-,59-,60-,61-,62-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 1295.32 g/mol, XLogP of 11.11, 21 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-bis(trimethylsilyl)phenyl]phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 10630242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).