(5S,6S)-5-amino-6-methyloxane-2,5-diol

C6H13NO3 — CID 90818771

IUPAC(5S,6S)-5-amino-6-methyloxane-2,5-diol
SMILESC[C@@H]1OC(O)CC[C@]1(N)O
InChIInChI=1S/C6H13NO3/c1-4-6(7,9)3-2-5(8)10-4/h4-5,8-9H,2-3,7H2,1H3/t4-,5?,6-/m0/s1
InChIKeyUXELRRQCHHMYJQ-BZWZBFKDSA-N
MW147.17 g/mol
LogP-0.85
Rot. Bonds

About (5S,6S)-5-amino-6-methyloxane-2,5-diol

(5S,6S)-5-amino-6-methyloxane-2,5-diol (PubChem CID 90818771) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (5S,6S)-5-amino-6-methyloxane-2,5-diol.

Molecular Properties

Compound Name(5S,6S)-5-amino-6-methyloxane-2,5-diol
PubChem CID90818771
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(5S,6S)-5-amino-6-methyloxane-2,5-diol
SMILESC[C@@H]1OC(O)CC[C@]1(N)O
InChIInChI=1S/C6H13NO3/c1-4-6(7,9)3-2-5(8)10-4/h4-5,8-9H,2-3,7H2,1H3/t4-,5?,6-/m0/s1
InChIKeyUXELRRQCHHMYJQ-BZWZBFKDSA-N
XLogP-0.85
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-amino-6-methyloxane-2,5-diol?
The IUPAC name of (5S,6S)-5-amino-6-methyloxane-2,5-diol (CID 90818771) is (5S,6S)-5-amino-6-methyloxane-2,5-diol.
What is the SMILES notation for (5S,6S)-5-amino-6-methyloxane-2,5-diol?
The canonical SMILES for (5S,6S)-5-amino-6-methyloxane-2,5-diol is C[C@@H]1OC(O)CC[C@]1(N)O.
What is the InChIKey of (5S,6S)-5-amino-6-methyloxane-2,5-diol?
The InChIKey is UXELRRQCHHMYJQ-BZWZBFKDSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4-6(7,9)3-2-5(8)10-4/h4-5,8-9H,2-3,7H2,1H3/t4-,5?,6-/m0/s1.
What are the key properties of (5S,6S)-5-amino-6-methyloxane-2,5-diol?
(5S,6S)-5-amino-6-methyloxane-2,5-diol has a molecular weight of 147.17 g/mol, XLogP of -0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-amino-6-methyloxane-2,5-diol is sourced from PubChem (CID 90818771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).