[(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide

C6H14BrNO8S — CID 142670975

IUPAC[(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide
SMILESBr.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1OS(=O)(=O)O
InChIInChI=1S/C6H13NO8S.BrH/c7-3-5(15-16(11,12)13)4(9)2(1-8)14-6(3)10;/h2-6,8-10H,1,7H2,(H,11,12,13);1H/t2-,3-,4-,5-,6?;/m1./s1
InChIKeyUTZRBWNLFFYLNC-NSEZLWDYSA-N
MW340.15 g/mol
LogP-2.85
Rot. Bonds3

About [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide

[(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide (PubChem CID 142670975) has the molecular formula C6H14BrNO8S and a molecular weight of 340.15 g/mol. Its IUPAC name is [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide.

Molecular Properties

Compound Name[(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide
PubChem CID142670975
Molecular FormulaC6H14BrNO8S
Molecular Weight340.15 g/mol
Exact Mass338.96
IUPAC Name[(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide
SMILESBr.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1OS(=O)(=O)O
InChIInChI=1S/C6H13NO8S.BrH/c7-3-5(15-16(11,12)13)4(9)2(1-8)14-6(3)10;/h2-6,8-10H,1,7H2,(H,11,12,13);1H/t2-,3-,4-,5-,6?;/m1./s1
InChIKeyUTZRBWNLFFYLNC-NSEZLWDYSA-N
XLogP-2.85
TPSA159.54 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 5-2.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide 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

[(2R,3R,4S,5S,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
CID 154942714
[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
CID 46186722
[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
CID 6602356
disodium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfuric acid;dichloride
CID 174851399
[(2S,3R,4S,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl]sulfamic acid
CID 3065153
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl] hydrogen sulfate
CID 101221166
[(2R,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6R)-3,6-dihydroxy-4,5-disulfooxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl] hydrogen sulfate
CID 163162699
[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
CID 46185937
[2-[(3,6-dihydroxy-4,5-disulfooxyoxan-2-yl)methoxy]-5-hydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl] hydrogen sulfate
CID 78382942
potassium;(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrogen sulfate
CID 25020353
disodium;[(2R,3S,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-sulfonatooxyoxan-4-yl] sulfate
CID 10430079
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide?
The IUPAC name of [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide (CID 142670975) is [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide.
What is the SMILES notation for [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide?
The canonical SMILES for [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide is Br.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1OS(=O)(=O)O.
What is the InChIKey of [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide?
The InChIKey is UTZRBWNLFFYLNC-NSEZLWDYSA-N. The full InChI is InChI=1S/C6H13NO8S.BrH/c7-3-5(15-16(11,12)13)4(9)2(1-8)14-6(3)10;/h2-6,8-10H,1,7H2,(H,11,12,13);1H/t2-,3-,4-,5-,6?;/m1./s1.
What are the key properties of [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide?
[(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide has a molecular weight of 340.15 g/mol, XLogP of -2.85, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;hydrobromide is sourced from PubChem (CID 142670975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).