(2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol

C15H22N2O5 — CID 7301827

IUPAC(2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCN(C)c1ccc(/C=N/[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2O)cc1
InChIInChI=1S/C15H22N2O5/c1-17(2)10-5-3-9(4-6-10)7-16-12-14(20)13(19)11(8-18)22-15(12)21/h3-7,11-15,18-21H,8H2,1-2H3/b16-7+/t11-,12-,13+,14+,15+/m0/s1
InChIKeyHJAWJHKKIRRCDA-ADVMENADSA-N
MW310.35 g/mol
LogP-1.03
Rot. Bonds4

About (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol

(2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 7301827) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID7301827
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCN(C)c1ccc(/C=N/[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2O)cc1
InChIInChI=1S/C15H22N2O5/c1-17(2)10-5-3-9(4-6-10)7-16-12-14(20)13(19)11(8-18)22-15(12)21/h3-7,11-15,18-21H,8H2,1-2H3/b16-7+/t11-,12-,13+,14+,15+/m0/s1
InChIKeyHJAWJHKKIRRCDA-ADVMENADSA-N
XLogP-1.03
TPSA105.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11894642
(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylideneamino]oxane-2,4,5-triol
CID 932901
(2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 101262430
(2R,3R,4R,5S,6R)-3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 136715091
4-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminobutan-2-one
CID 90766738
(2R,5S)-5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
CID 89244579
2-amino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1H-purin-6-one
CID 135774207
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(2R,3S,4R,5S,6R)-3-(diethylamino)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 124748068

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol (CID 7301827) is (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol is CN(C)c1ccc(/C=N/[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2O)cc1.
What is the InChIKey of (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is HJAWJHKKIRRCDA-ADVMENADSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-17(2)10-5-3-9(4-6-10)7-16-12-14(20)13(19)11(8-18)22-15(12)21/h3-7,11-15,18-21H,8H2,1-2H3/b16-7+/t11-,12-,13+,14+,15+/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol?
(2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 310.35 g/mol, XLogP of -1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 7301827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).