(3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol

C9H19NO5 — CID 51055946

IUPAC(3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol
SMILESCOC[C@H]1OC(O)[C@H](N)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C9H19NO5/c1-12-4-5-7(13-2)8(14-3)6(10)9(11)15-5/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8-,9?/m1/s1
InChIKeyNLPHCBNWHHFZOI-VARJHODCSA-N
MW221.25 g/mol
LogP-1.29
Rot. Bonds4

About (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol

(3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol (PubChem CID 51055946) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol
PubChem CID51055946
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name(3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol
SMILESCOC[C@H]1OC(O)[C@H](N)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C9H19NO5/c1-12-4-5-7(13-2)8(14-3)6(10)9(11)15-5/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8-,9?/m1/s1
InChIKeyNLPHCBNWHHFZOI-VARJHODCSA-N
XLogP-1.29
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

D-Glucosamine
CID 439213
beta-D-Glucosamine
CID 441477
D-Galactosamine
CID 24154
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
CID 9859210
Glucosamine 6-sulfate
CID 72361
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
CID 2723635
6-(alpha-D-glucosaminyl)-1D-myo-inositol
CID 445937
2-Amino-2-Deoxy-Hexose
CID 739
beta-D-galactosamine
CID 449462
Muramic acid
CID 441038
D-Mannosamine
CID 440049
4-Trehalosamine
CID 198273

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol?
The IUPAC name of (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol (CID 51055946) is (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol.
What is the SMILES notation for (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol?
The canonical SMILES for (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol is COC[C@H]1OC(O)[C@H](N)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol?
The InChIKey is NLPHCBNWHHFZOI-VARJHODCSA-N. The full InChI is InChI=1S/C9H19NO5/c1-12-4-5-7(13-2)8(14-3)6(10)9(11)15-5/h5-9,11H,4,10H2,1-3H3/t5-,6-,7-,8-,9?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol?
(3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol has a molecular weight of 221.25 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-amino-4,5-dimethoxy-6-(methoxymethyl)oxan-2-ol is sourced from PubChem (CID 51055946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).