[(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

C35H58O7Si3 — CID 102098578

IUPAC[(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
SMILESCC(=O)O[C@H]1Cc2c(O)cc(O[Si](C)(C)C(C)(C)C)cc2O[C@@H]1c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C35H58O7Si3/c1-23(36)38-31-22-26-27(37)20-25(40-43(11,12)33(2,3)4)21-29(26)39-32(31)24-17-18-28(41-44(13,14)34(5,6)7)30(19-24)42-45(15,16)35(8,9)10/h17-21,31-32,37H,22H2,1-16H3/t31-,32+/m0/s1
InChIKeyTVBDPZJUHBTQJL-AJQTZOPKSA-N
MW675.10 g/mol
LogP10.15
Rot. Bonds8

About [(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

[(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 (PubChem CID 102098578) has the molecular formula C35H58O7Si3 and a molecular weight of 675.10 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID102098578
Molecular FormulaC35H58O7Si3
Molecular Weight675.10 g/mol
Exact Mass674.35
IUPAC Name[(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
SMILESCC(=O)O[C@H]1Cc2c(O)cc(O[Si](C)(C)C(C)(C)C)cc2O[C@@H]1c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C35H58O7Si3/c1-23(36)38-31-22-26-27(37)20-25(40-43(11,12)33(2,3)4)21-29(26)39-32(31)24-17-18-28(41-44(13,14)34(5,6)7)30(19-24)42-45(15,16)35(8,9)10/h17-21,31-32,37H,22H2,1-16H3/t31-,32+/m0/s1
InChIKeyTVBDPZJUHBTQJL-AJQTZOPKSA-N
XLogP10.15
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.10
LogP ≤ 510.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(=O)O[C@H]1Cc2c(O)cc(O[Si](C)(C)C(C)(C)C)cc2O[C@@H]1c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [(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?
The InChIKey is TVBDPZJUHBTQJL-AJQTZOPKSA-N. The full InChI is InChI=1S/C35H58O7Si3/c1-23(36)38-31-22-26-27(37)20-25(40-43(11,12)33(2,3)4)21-29(26)39-32(31)24-17-18-28(41-44(13,14)34(5,6)7)30(19-24)42-45(15,16)35(8,9)10/h17-21,31-32,37H,22H2,1-16H3/t31-,32+/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 675.10 g/mol, XLogP of 10.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 102098578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).