(1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol

C8H15NO4 — CID 10420003

IUPAC(1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol
SMILESN[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@]2(CO)C[C@H]12
InChIInChI=1S/C8H15NO4/c9-4-3-1-8(3,2-10)7(13)6(12)5(4)11/h3-7,10-13H,1-2,9H2/t3-,4+,5+,6-,7+,8+/m1/s1
InChIKeyQOHPDHMUKXEACC-RZAHXXBXSA-N
MW189.21 g/mol
LogP-2.59
Rot. Bonds1

About (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol

(1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol (PubChem CID 10420003) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol.

Molecular Properties

Compound Name(1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol
PubChem CID10420003
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol
SMILESN[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@]2(CO)C[C@H]12
InChIInChI=1S/C8H15NO4/c9-4-3-1-8(3,2-10)7(13)6(12)5(4)11/h3-7,10-13H,1-2,9H2/t3-,4+,5+,6-,7+,8+/m1/s1
InChIKeyQOHPDHMUKXEACC-RZAHXXBXSA-N
XLogP-2.59
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol?
The IUPAC name of (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol (CID 10420003) is (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol.
What is the SMILES notation for (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol?
The canonical SMILES for (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol is N[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@]2(CO)C[C@H]12.
What is the InChIKey of (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol?
The InChIKey is QOHPDHMUKXEACC-RZAHXXBXSA-N. The full InChI is InChI=1S/C8H15NO4/c9-4-3-1-8(3,2-10)7(13)6(12)5(4)11/h3-7,10-13H,1-2,9H2/t3-,4+,5+,6-,7+,8+/m1/s1.
What are the key properties of (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol?
(1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol has a molecular weight of 189.21 g/mol, XLogP of -2.59, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol is sourced from PubChem (CID 10420003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).