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

C20H25NO5 — CID 139067709

IUPAC(2S,3S,4S,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-FYQPLNBISA-N
MW359.42 g/mol
LogP0.49
Rot. Bonds6

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

(2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol (PubChem CID 139067709) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol
PubChem CID139067709
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(2S,3S,4S,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-FYQPLNBISA-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

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

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Related Compounds

(2S)-2-[nitroso-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl]amino]-3-phenylpropanoic acid
CID 10871975
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
(2S)-3-phenyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
CID 102229196
(2R)-3-phenyl-2-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
CID 71316982
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol
CID 45357378
(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 56657680
N-benzyl-1-phenyl-N-[(2,4,9-triphenyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methyl]methanamine
CID 11180693
(2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol
CID 91122601

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol (CID 139067709) is (2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4S,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 (2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol?
The InChIKey is ADXAVQCMXQULQN-FYQPLNBISA-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 (2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol?
(2S,3S,4S,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 (2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 139067709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).