(2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol

C19H23NO3 — CID 134931479

IUPAC(2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)CO[C@H]1CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO3/c21-17-14-23-18(19(17)22)13-20(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2/t17-,18+,19-/m1/s1
InChIKeyMDNXERNLPABCJA-CEXWTWQISA-N
MW313.40 g/mol
LogP1.81
Rot. Bonds6

About (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol

(2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol (PubChem CID 134931479) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol
PubChem CID134931479
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)CO[C@H]1CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO3/c21-17-14-23-18(19(17)22)13-20(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2/t17-,18+,19-/m1/s1
InChIKeyMDNXERNLPABCJA-CEXWTWQISA-N
XLogP1.81
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(Dibenzylamino)-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 155765665
(2S,3S,4R,5R)-5-[[bis[(4-fluorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-3-ol
CID 28961248
(2R,3R,4S)-1-benzyl-2-[[(Z)-octadec-9-enoxy]methyl]pyrrolidine-3,4-diol
CID 44238158
(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidine-3,4-diol
CID 44568502
N-Benzyl-1,4-dideoxy-1,4-imino-D-ribitol
CID 452007
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CID 3563668
(4-Benzyl-6,6-dimethylmorpholin-2-YL)methanol
CID 71742813
(R)-(4-benzylmorpholin-2-yl)methanol
CID 736506
(2S,3S,4S,5R)-4-[benzyl(methyl)amino]-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)oxolan-3-ol
CID 38026759

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol (CID 134931479) is (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol is O[C@@H]1[C@H](O)CO[C@H]1CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol?
The InChIKey is MDNXERNLPABCJA-CEXWTWQISA-N. The full InChI is InChI=1S/C19H23NO3/c21-17-14-23-18(19(17)22)13-20(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2/t17-,18+,19-/m1/s1.
What are the key properties of (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol?
(2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol has a molecular weight of 313.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-[(dibenzylamino)methyl]oxolane-3,4-diol is sourced from PubChem (CID 134931479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).