(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

C7H15NO5 — CID 162423103

IUPAC(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1
InChIKeySWVTZDDSAFUTKS-DOMFMGKQSA-N
MW193.20 g/mol
LogP-3.62
Rot. Bonds1

About (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (PubChem CID 162423103) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
PubChem CID162423103
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
SMILESN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1
InChIKeySWVTZDDSAFUTKS-DOMFMGKQSA-N
XLogP-3.62
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol with MolForge

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Related Compounds

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CID 100995414
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CID 10261988
3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
CID 123934706
(1S,2S,3S,4R)-5-(2-hydroxyethyl)cyclopentane-1,2,3,4-tetrol
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(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
2,5-diamino-6-(hydroxymethyl)oxane-3,4-diol
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (CID 162423103) is (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol is N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
The InChIKey is SWVTZDDSAFUTKS-DOMFMGKQSA-N. The full InChI is InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1.
What are the key properties of (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol?
(1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol has a molecular weight of 193.20 g/mol, XLogP of -3.62, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 162423103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).