(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol

C14H21NO4 — CID 7081007

IUPAC(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
SMILESC[C@H]1O[C@@H](NCCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3/t9-,11+,12+,13+,14-/m1/s1
InChIKeyWEASWRDFMRNHED-KYLSFTOHSA-N
MW267.32 g/mol
LogP-0.35
Rot. Bonds4

About (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol (PubChem CID 7081007) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
PubChem CID7081007
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol
SMILESC[C@H]1O[C@@H](NCCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3/t9-,11+,12+,13+,14-/m1/s1
InChIKeyWEASWRDFMRNHED-KYLSFTOHSA-N
XLogP-0.35
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol with MolForge

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Related Compounds

2-methyl-6-(2-phenylethyl)oxane-3,4,5-triol
CID 90704833
(2R,3S,4S,5R,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol
CID 7566717
(2S,3R,4S,5S,6R)-2-(2-aminoethylamino)-6-methyloxane-3,4,5-triol
CID 18641174
(3S,4S,6S)-2-methyl-6-(3-phenylpropyl)oxane-3,4,5-triol
CID 90823416
(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol
CID 101200287
2-phenylethyl-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]azanium
CID 7081010
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(2R,3R,4S,5S,6R)-2-benzylsulfanyl-6-methyloxane-3,4,5-triol
CID 21310490
2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]benzoic acid
CID 51412271
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
CID 86315413
(2R,3S,4S,5R,6S)-2-methyl-6-[4-[2-(methylamino)ethyl]phenoxy]oxane-3,4,5-triol
CID 163037828

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol (CID 7081007) is (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol is C[C@H]1O[C@@H](NCCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol?
The InChIKey is WEASWRDFMRNHED-KYLSFTOHSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3/t9-,11+,12+,13+,14-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol has a molecular weight of 267.32 g/mol, XLogP of -0.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol is sourced from PubChem (CID 7081007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).