(2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C34H35BrO6 — CID 140502708

IUPAC(2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@@]1(Br)O[C@](O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C34H35BrO6/c35-33(25-36)31(38,22-27-15-7-2-8-16-27)30(37,21-26-13-5-1-6-14-26)32(39,23-28-17-9-3-10-18-28)34(40,41-33)24-29-19-11-4-12-20-29/h1-20,36-40H,21-25H2/t30-,31-,32+,33+,34+/m0/s1
InChIKeyZGFYOAGYQQBLPB-VHFAWWBMSA-N
MW619.55 g/mol
LogP3.95
Rot. Bonds9

About (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 140502708) has the molecular formula C34H35BrO6 and a molecular weight of 619.55 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID140502708
Molecular FormulaC34H35BrO6
Molecular Weight619.55 g/mol
Exact Mass618.16
IUPAC Name(2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@@]1(Br)O[C@](O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1
InChIInChI=1S/C34H35BrO6/c35-33(25-36)31(38,22-27-15-7-2-8-16-27)30(37,21-26-13-5-1-6-14-26)32(39,23-28-17-9-3-10-18-28)34(40,41-33)24-29-19-11-4-12-20-29/h1-20,36-40H,21-25H2/t30-,31-,32+,33+,34+/m0/s1
InChIKeyZGFYOAGYQQBLPB-VHFAWWBMSA-N
XLogP3.95
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.55
LogP ≤ 53.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol 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

(3R,4R,5R)-2,3,4-tribenzyl-5-[(1R)-1,2-dihydroxyethyl]-5-ethyloxolane-2,3,4-triol
CID 140967669
(1S,2R,4R,5R)-1,2,3,4,5-pentabenzylcyclohexane-1,2,3,4,5,6-hexol
CID 67924333
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
(2S,3S,4R,5S)-6-amino-6-benzyl-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141389802
3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928120
(2R,3S,4S,5R,6S)-3,4,5-tribenzyl-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 67771303
(3S,4R,5S)-2-benzyl-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 142629851
(2R,3S,4S,5S)-4-benzyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 174840135
benzyl(pentafluoro)-λ6-sulfane
CID 87842882
phenylmethanol;tetrabromomethane
CID 174808232

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 140502708) is (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@@]1(Br)O[C@](O)(Cc2ccccc2)[C@@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@]1(O)Cc1ccccc1.
What is the InChIKey of (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is ZGFYOAGYQQBLPB-VHFAWWBMSA-N. The full InChI is InChI=1S/C34H35BrO6/c35-33(25-36)31(38,22-27-15-7-2-8-16-27)30(37,21-26-13-5-1-6-14-26)32(39,23-28-17-9-3-10-18-28)34(40,41-33)24-29-19-11-4-12-20-29/h1-20,36-40H,21-25H2/t30-,31-,32+,33+,34+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 619.55 g/mol, XLogP of 3.95, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-2,3,4,5-tetrabenzyl-6-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 140502708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).