(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol

C6H13NO4 — CID 101174651

IUPAC(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol
SMILESN[C@H]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4-,5+,6+/m0/s1
InChIKeyQXQNRSUOYNMXDL-DSOBHZJASA-N
MW163.17 g/mol
LogP-2.84
Rot. Bonds

About (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol

(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol (PubChem CID 101174651) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol
PubChem CID101174651
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol
SMILESN[C@H]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4-,5+,6+/m0/s1
InChIKeyQXQNRSUOYNMXDL-DSOBHZJASA-N
XLogP-2.84
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol (CID 101174651) is (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol is N[C@H]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol?
The InChIKey is QXQNRSUOYNMXDL-DSOBHZJASA-N. The full InChI is InChI=1S/C6H13NO4/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,8-11H,1,7H2/t2-,3+,4-,5+,6+/m0/s1.
What are the key properties of (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol?
(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol has a molecular weight of 163.17 g/mol, XLogP of -2.84, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol is sourced from PubChem (CID 101174651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).