(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol

C6H11NO3 — CID 10486977

IUPAC(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol
SMILESN[C@H]1C=C[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11NO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H,7H2/t3-,4-,5-,6-/m0/s1
InChIKeyRAJLHDDMNNFKNT-BXKVDMCESA-N
MW145.16 g/mol
LogP-2.03
Rot. Bonds

About (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol

(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol (PubChem CID 10486977) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol
PubChem CID10486977
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol
SMILESN[C@H]1C=C[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H11NO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H,7H2/t3-,4-,5-,6-/m0/s1
InChIKeyRAJLHDDMNNFKNT-BXKVDMCESA-N
XLogP-2.03
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol?
The IUPAC name of (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol (CID 10486977) is (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol.
What is the SMILES notation for (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol?
The canonical SMILES for (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol is N[C@H]1C=C[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol?
The InChIKey is RAJLHDDMNNFKNT-BXKVDMCESA-N. The full InChI is InChI=1S/C6H11NO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H,7H2/t3-,4-,5-,6-/m0/s1.
What are the key properties of (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol?
(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol has a molecular weight of 145.16 g/mol, XLogP of -2.03, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol is sourced from PubChem (CID 10486977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).