(2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol

C20H25NO4 — CID 139067593

IUPAC(2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol
SMILESC[C@@H]1O[C@@](O)(CN(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C20H25NO4/c1-15-18(22)19(23)20(24,25-15)14-21(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18-19,22-24H,12-14H2,1H3/t15-,18-,19+,20-/m0/s1
InChIKeyGEYGVJURDKBTBM-QLIIJSOBSA-N
MW343.42 g/mol
LogP1.52
Rot. Bonds6

About (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol

(2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol (PubChem CID 139067593) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol
PubChem CID139067593
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol
SMILESC[C@@H]1O[C@@](O)(CN(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H]1O
InChIInChI=1S/C20H25NO4/c1-15-18(22)19(23)20(24,25-15)14-21(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18-19,22-24H,12-14H2,1H3/t15-,18-,19+,20-/m0/s1
InChIKeyGEYGVJURDKBTBM-QLIIJSOBSA-N
XLogP1.52
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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[(3aR,4R,6R,6aR)-4-[benzyl(hydroxy)amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol?
The IUPAC name of (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol (CID 139067593) is (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol?
The canonical SMILES for (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol is C[C@@H]1O[C@@](O)(CN(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol?
The InChIKey is GEYGVJURDKBTBM-QLIIJSOBSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15-18(22)19(23)20(24,25-15)14-21(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18-19,22-24H,12-14H2,1H3/t15-,18-,19+,20-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol?
(2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol has a molecular weight of 343.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-[(dibenzylamino)methyl]-5-methyloxolane-2,3,4-triol is sourced from PubChem (CID 139067593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).