(3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol

C24H25NO3 — CID 166803425

IUPAC(3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol
SMILESN[C@H]1COC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1O
InChIInChI=1S/C24H25NO3/c25-21-16-27-17-22(23(21)26)28-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-23,26H,16-17,25H2/t21-,22+,23+/m0/s1
InChIKeySBVRQQYGZHQEAX-YTFSRNRJSA-N
MW375.47 g/mol
LogP3.08
Rot. Bonds5

About (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol

(3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol (PubChem CID 166803425) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol.

Molecular Properties

Compound Name(3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol
PubChem CID166803425
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol
SMILESN[C@H]1COC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1O
InChIInChI=1S/C24H25NO3/c25-21-16-27-17-22(23(21)26)28-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-23,26H,16-17,25H2/t21-,22+,23+/m0/s1
InChIKeySBVRQQYGZHQEAX-YTFSRNRJSA-N
XLogP3.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-trityloxyoxirane
CID 142635645
(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 176862335
2-ethenyl-6-trityloxycyclohexan-1-ol
CID 69086369
(2R,6R)-2-trityloxy-7-oxabicyclo[4.1.0]heptane
CID 88896051
(1R,2R,6R)-2-trityloxy-7-oxabicyclo[4.1.0]heptane
CID 86667163
(1R,4R)-4-trityloxycyclopent-2-en-1-ol
CID 11121433
trityl hypobromite
CID 21394946
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol
CID 54540379
6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol
CID 164578316
[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane
CID 11488268

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol?
The IUPAC name of (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol (CID 166803425) is (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol.
What is the SMILES notation for (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol?
The canonical SMILES for (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol is N[C@H]1COC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol?
The InChIKey is SBVRQQYGZHQEAX-YTFSRNRJSA-N. The full InChI is InChI=1S/C24H25NO3/c25-21-16-27-17-22(23(21)26)28-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-23,26H,16-17,25H2/t21-,22+,23+/m0/s1.
What are the key properties of (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol?
(3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol has a molecular weight of 375.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-amino-5-trityloxyoxan-4-ol is sourced from PubChem (CID 166803425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).