(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine

C10H21NO5 — CID 24804009

IUPAC(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
SMILESCOC[C@H]1OC(OC)[C@H](N)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H21NO5/c1-12-5-6-8(13-2)9(14-3)7(11)10(15-4)16-6/h6-10H,5,11H2,1-4H3/t6-,7-,8-,9-,10?/m1/s1
InChIKeyNKOBUKNFLIGQHL-WWGUJXLXSA-N
MW235.28 g/mol
LogP-0.64
Rot. Bonds5

About (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine

(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine (PubChem CID 24804009) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine.

Molecular Properties

Compound Name(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
PubChem CID24804009
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
SMILESCOC[C@H]1OC(OC)[C@H](N)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C10H21NO5/c1-12-5-6-8(13-2)9(14-3)7(11)10(15-4)16-6/h6-10H,5,11H2,1-4H3/t6-,7-,8-,9-,10?/m1/s1
InChIKeyNKOBUKNFLIGQHL-WWGUJXLXSA-N
XLogP-0.64
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranose
CID 16213812
(2R,3S,4R,5R,6R)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 10368367
GlyTouCan:G25087CA
CID 3458144
beta-D-Glucopyranose, 2-amino-2-deoxy-, 1,3,4,6-tetraacetate, hydrochloride (1:1)
CID 202259
Trehalose, 2-amino-2-deoxy-, hydrochloride
CID 209700
Trehalosamine
CID 213871
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate
CID 202260
(3,4,6-Triacetyloxy-5-aminooxan-2-yl)methyl acetate
CID 408523
4-Amino-2-hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3,5-diol
CID 448295
(2R,3S,4R,5R,6S)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 71612623
(2R,3R,4R,5R,6S)-5-amino-6-(3-hexadecoxy-2-methoxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 90671603
(2R,3S,4R,5R,6S)-5-amino-6-(3-hexadecoxy-2-methoxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 90671693

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine?
The IUPAC name of (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine (CID 24804009) is (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine.
What is the SMILES notation for (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine?
The canonical SMILES for (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine is COC[C@H]1OC(OC)[C@H](N)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine?
The InChIKey is NKOBUKNFLIGQHL-WWGUJXLXSA-N. The full InChI is InChI=1S/C10H21NO5/c1-12-5-6-8(13-2)9(14-3)7(11)10(15-4)16-6/h6-10H,5,11H2,1-4H3/t6-,7-,8-,9-,10?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine?
(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine has a molecular weight of 235.28 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine is sourced from PubChem (CID 24804009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).