azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid

C6H19NO10S — CID 175470140

IUPACazane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid
SMILESN.O=S(=O)(O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.H3N.H2O4S/c7-1-3(9)5(11)6(12)4(10)2-8;;1-5(2,3)4/h3-12H,1-2H2;1H3;(H2,1,2,3,4)/t3-,4-,5-,6-;;/m1../s1
InChIKeyUINVPDPDZZDEEH-OXIHULNRSA-N
MW297.28 g/mol
LogP-4.08
Rot. Bonds5

About azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid

azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid (PubChem CID 175470140) has the molecular formula C6H19NO10S and a molecular weight of 297.28 g/mol. Its IUPAC name is azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid.

Molecular Properties

Compound Nameazane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid
PubChem CID175470140
Molecular FormulaC6H19NO10S
Molecular Weight297.28 g/mol
Exact Mass297.07
IUPAC Nameazane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid
SMILESN.O=S(=O)(O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14O6.H3N.H2O4S/c7-1-3(9)5(11)6(12)4(10)2-8;;1-5(2,3)4/h3-12H,1-2H2;1H3;(H2,1,2,3,4)/t3-,4-,5-,6-;;/m1../s1
InChIKeyUINVPDPDZZDEEH-OXIHULNRSA-N
XLogP-4.08
TPSA230.98 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.28
LogP ≤ 5-4.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
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Frequently Asked Questions

What is the IUPAC name of azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid?
The IUPAC name of azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid (CID 175470140) is azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid.
What is the SMILES notation for azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid?
The canonical SMILES for azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid is N.O=S(=O)(O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid?
The InChIKey is UINVPDPDZZDEEH-OXIHULNRSA-N. The full InChI is InChI=1S/C6H14O6.H3N.H2O4S/c7-1-3(9)5(11)6(12)4(10)2-8;;1-5(2,3)4/h3-12H,1-2H2;1H3;(H2,1,2,3,4)/t3-,4-,5-,6-;;/m1../s1.
What are the key properties of azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid?
azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid has a molecular weight of 297.28 g/mol, XLogP of -4.08, 5 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;sulfuric acid is sourced from PubChem (CID 175470140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).