(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol

C7H15NO4 — CID 57272442

IUPAC(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol
SMILESCO[C@H]1O[C@H](C)[C@@H](O)[C@@H](N)[C@H]1O
InChIInChI=1S/C7H15NO4/c1-3-5(9)4(8)6(10)7(11-2)12-3/h3-7,9-10H,8H2,1-2H3/t3-,4-,5-,6-,7+/m1/s1
InChIKeyHUENEIQYHWCNHM-GKHCUFPYSA-N
MW177.20 g/mol
LogP-1.57
Rot. Bonds1

About (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol

(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol (PubChem CID 57272442) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol
PubChem CID57272442
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol
SMILESCO[C@H]1O[C@H](C)[C@@H](O)[C@@H](N)[C@H]1O
InChIInChI=1S/C7H15NO4/c1-3-5(9)4(8)6(10)7(11-2)12-3/h3-7,9-10H,8H2,1-2H3/t3-,4-,5-,6-,7+/m1/s1
InChIKeyHUENEIQYHWCNHM-GKHCUFPYSA-N
XLogP-1.57
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol with MolForge

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Related Compounds

(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142
(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol
CID 130765052
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
2-methoxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 14212572
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
2-[(3S,4S,6R)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]guanidine
CID 122634490
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
[(5S)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]-trimethylazanium;[(5S)-2-methoxy-3,5,6-trimethyloxan-4-yl]-trimethylazanium
CID 162220117
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol?
The IUPAC name of (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol (CID 57272442) is (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol?
The canonical SMILES for (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol is CO[C@H]1O[C@H](C)[C@@H](O)[C@@H](N)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol?
The InChIKey is HUENEIQYHWCNHM-GKHCUFPYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-3-5(9)4(8)6(10)7(11-2)12-3/h3-7,9-10H,8H2,1-2H3/t3-,4-,5-,6-,7+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol?
(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol has a molecular weight of 177.20 g/mol, XLogP of -1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol is sourced from PubChem (CID 57272442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).