(2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine

C46H77NO5Si4 — CID 11585955

IUPAC(2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)C[C@@H](NCc1ccccc1)[C@@H](c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1)O2
InChIInChI=1S/C46H77NO5Si4/c1-43(2,3)53(13,14)49-35-29-39-36(40(30-35)51-55(17,18)45(7,8)9)31-37(47-32-33-24-22-21-23-25-33)42(48-39)34-26-27-38(50-54(15,16)44(4,5)6)41(28-34)52-56(19,20)46(10,11)12/h21-30,37,42,47H,31-32H2,1-20H3/t37-,42-/m1/s1
InChIKeyKWANVIVLJCBYLT-GLAVYMFISA-N
MW836.47 g/mol
LogP14.06
Rot. Bonds12

About (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine

(2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11585955) has the molecular formula C46H77NO5Si4 and a molecular weight of 836.47 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine
PubChem CID11585955
Molecular FormulaC46H77NO5Si4
Molecular Weight836.47 g/mol
Exact Mass835.49
IUPAC Name(2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine
SMILESCC(C)(C)[Si](C)(C)Oc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)C[C@@H](NCc1ccccc1)[C@@H](c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1)O2
InChIInChI=1S/C46H77NO5Si4/c1-43(2,3)53(13,14)49-35-29-39-36(40(30-35)51-55(17,18)45(7,8)9)31-37(47-32-33-24-22-21-23-25-33)42(48-39)34-26-27-38(50-54(15,16)44(4,5)6)41(28-34)52-56(19,20)46(10,11)12/h21-30,37,42,47H,31-32H2,1-20H3/t37-,42-/m1/s1
InChIKeyKWANVIVLJCBYLT-GLAVYMFISA-N
XLogP14.06
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.47
LogP ≤ 514.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,3R)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-3,4,5-trihydroxybenzamide
CID 59263555
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
[(2R,3S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,4-dihydro-2H-chromen-3-yl] acetate
CID 102098578
2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,3-dihydrochromen-4-one
CID 91697009
(3S,3aR,6R,6aS)-N-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 90286030
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate
CID 11858479
(1R,2R,3R)-N-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-amine
CID 22885654
benzyl [(3R)-2-[3,4-bis(phenylmethoxycarbonyloxy)phenyl]-3-hydroxy-5-phenylmethoxycarbonyloxy-3,4-dihydro-2H-chromen-7-yl] carbonate
CID 118886888
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-methyl-3,4-dihydro-2H-chromene
CID 22094936
tert-butyl-[[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxy]-dimethylsilane
CID 11491253

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine (CID 11585955) is (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine is CC(C)(C)[Si](C)(C)Oc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)C[C@@H](NCc1ccccc1)[C@@H](c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1)O2.
What is the InChIKey of (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is KWANVIVLJCBYLT-GLAVYMFISA-N. The full InChI is InChI=1S/C46H77NO5Si4/c1-43(2,3)53(13,14)49-35-29-39-36(40(30-35)51-55(17,18)45(7,8)9)31-37(47-32-33-24-22-21-23-25-33)42(48-39)34-26-27-38(50-54(15,16)44(4,5)6)41(28-34)52-56(19,20)46(10,11)12/h21-30,37,42,47H,31-32H2,1-20H3/t37-,42-/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine?
(2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 836.47 g/mol, XLogP of 14.06, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11585955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).