[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid

C33H71BO6Si3 — CID 66652675

IUPAC[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid
SMILESCC(C)[Si](OC[C@H]1OC(B(O)O)=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C33H71BO6Si3/c1-21(2)41(22(3)4,23(5)6)37-20-31-33(40-43(27(13)14,28(15)16)29(17)18)30(19-32(38-31)34(35)36)39-42(24(7)8,25(9)10)26(11)12/h19,21-31,33,35-36H,20H2,1-18H3/t30-,31-,33+/m1/s1
InChIKeyHKDNORZPTNYUCO-IZWPZILSSA-N
MW659.00 g/mol
LogP9.59
Rot. Bonds17

About [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid

[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid (PubChem CID 66652675) has the molecular formula C33H71BO6Si3 and a molecular weight of 659.00 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid.

Molecular Properties

Compound Name[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid
PubChem CID66652675
Molecular FormulaC33H71BO6Si3
Molecular Weight659.00 g/mol
Exact Mass658.47
IUPAC Name[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid
SMILESCC(C)[Si](OC[C@H]1OC(B(O)O)=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C33H71BO6Si3/c1-21(2)41(22(3)4,23(5)6)37-20-31-33(40-43(27(13)14,28(15)16)29(17)18)30(19-32(38-31)34(35)36)39-42(24(7)8,25(9)10)26(11)12/h19,21-31,33,35-36H,20H2,1-18H3/t30-,31-,33+/m1/s1
InChIKeyHKDNORZPTNYUCO-IZWPZILSSA-N
XLogP9.59
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.00
LogP ≤ 59.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid?
The IUPAC name of [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid (CID 66652675) is [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid.
What is the SMILES notation for [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid?
The canonical SMILES for [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid is CC(C)[Si](OC[C@H]1OC(B(O)O)=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid?
The InChIKey is HKDNORZPTNYUCO-IZWPZILSSA-N. The full InChI is InChI=1S/C33H71BO6Si3/c1-21(2)41(22(3)4,23(5)6)37-20-31-33(40-43(27(13)14,28(15)16)29(17)18)30(19-32(38-31)34(35)36)39-42(24(7)8,25(9)10)26(11)12/h19,21-31,33,35-36H,20H2,1-18H3/t30-,31-,33+/m1/s1.
What are the key properties of [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid?
[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid has a molecular weight of 659.00 g/mol, XLogP of 9.59, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid is sourced from PubChem (CID 66652675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).