(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol

C20H25NO5 — CID 7203907

IUPAC(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol
SMILESO[C@@H]1[C@H](O)CO[C@](O)(CN(Cc2ccccc2)Cc2ccccc2)[C@H]1O
InChIInChI=1S/C20H25NO5/c22-17-13-26-20(25,19(24)18(17)23)14-21(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-19,22-25H,11-14H2/t17-,18-,19+,20-/m1/s1
InChIKeyADXAVQCMXQULQN-YSTOQKLRSA-N
MW359.42 g/mol
LogP0.49
Rot. Bonds6

About (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol

(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol (PubChem CID 7203907) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol
PubChem CID7203907
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol
SMILESO[C@@H]1[C@H](O)CO[C@](O)(CN(Cc2ccccc2)Cc2ccccc2)[C@H]1O
InChIInChI=1S/C20H25NO5/c22-17-13-26-20(25,19(24)18(17)23)14-21(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-19,22-25H,11-14H2/t17-,18-,19+,20-/m1/s1
InChIKeyADXAVQCMXQULQN-YSTOQKLRSA-N
XLogP0.49
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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(2S,3R,4R,5S,6R)-2-[(benzylamino)methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[[[(E)-3-phenylprop-2-enyl]amino]methyl]oxane-3,4,5-triol
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CID 72836876
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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol (CID 7203907) is (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol is O[C@@H]1[C@H](O)CO[C@](O)(CN(Cc2ccccc2)Cc2ccccc2)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol?
The InChIKey is ADXAVQCMXQULQN-YSTOQKLRSA-N. The full InChI is InChI=1S/C20H25NO5/c22-17-13-26-20(25,19(24)18(17)23)14-21(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-19,22-25H,11-14H2/t17-,18-,19+,20-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol?
(2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol has a molecular weight of 359.42 g/mol, XLogP of 0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 7203907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).