[(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol

C34H35BO5 — CID 10530352

IUPAC[(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1OB([C@H]2C[C@H]2CO)O[C@H]1C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35BO5/c1-37-33(26-15-7-3-8-16-26,27-17-9-4-10-18-27)31-32(40-35(39-31)30-23-25(30)24-36)34(38-2,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30-32,36H,23-24H2,1-2H3/t25-,30-,31+,32+/m0/s1
InChIKeyOQFUWDAUXJPPRX-SPJMRJSYSA-N
MW534.46 g/mol
LogP5.82
Rot. Bonds10

About [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol

[(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol (PubChem CID 10530352) has the molecular formula C34H35BO5 and a molecular weight of 534.46 g/mol. Its IUPAC name is [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol
PubChem CID10530352
Molecular FormulaC34H35BO5
Molecular Weight534.46 g/mol
Exact Mass534.26
IUPAC Name[(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol
SMILESCOC(c1ccccc1)(c1ccccc1)[C@@H]1OB([C@H]2C[C@H]2CO)O[C@H]1C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35BO5/c1-37-33(26-15-7-3-8-16-26,27-17-9-4-10-18-27)31-32(40-35(39-31)30-23-25(30)24-36)34(38-2,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30-32,36H,23-24H2,1-2H3/t25-,30-,31+,32+/m0/s1
InChIKeyOQFUWDAUXJPPRX-SPJMRJSYSA-N
XLogP5.82
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.46
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol (CID 10530352) is [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol is COC(c1ccccc1)(c1ccccc1)[C@@H]1OB([C@H]2C[C@H]2CO)O[C@H]1C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol?
The InChIKey is OQFUWDAUXJPPRX-SPJMRJSYSA-N. The full InChI is InChI=1S/C34H35BO5/c1-37-33(26-15-7-3-8-16-26,27-17-9-4-10-18-27)31-32(40-35(39-31)30-23-25(30)24-36)34(38-2,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30-32,36H,23-24H2,1-2H3/t25-,30-,31+,32+/m0/s1.
What are the key properties of [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol?
[(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol has a molecular weight of 534.46 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 10530352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).