(1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile

C26H25NO3 — CID 53349932

IUPAC(1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile
SMILESN#C[C@H]1C[C@H](O)[C@H](O)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO3/c27-17-19-16-24(28)25(29)23(19)18-30-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23-25,28-29H,16,18H2/t19-,23+,24+,25-/m1/s1
InChIKeyDDJVJQRSCLEAKX-LJYZBVLISA-N
MW399.49 g/mol
LogP3.88
Rot. Bonds6

About (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile

(1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile (PubChem CID 53349932) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile
PubChem CID53349932
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name(1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile
SMILESN#C[C@H]1C[C@H](O)[C@H](O)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO3/c27-17-19-16-24(28)25(29)23(19)18-30-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23-25,28-29H,16,18H2/t19-,23+,24+,25-/m1/s1
InChIKeyDDJVJQRSCLEAKX-LJYZBVLISA-N
XLogP3.88
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
(1S,4R)-4-(trityloxymethyl)cyclopent-2-en-1-ol
CID 10021190
2-(trityloxymethyl)oxane-3,4-diol
CID 85275479
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
4-(trityloxymethyl)cyclohex-2-ene-1,2-diol
CID 67634186
2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 141267645
acetonitrile;(5S)-2,3-dimethyl-5-(trityloxymethyl)oxolane;propane-2,2-diol
CID 143157543
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile?
The IUPAC name of (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile (CID 53349932) is (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile is N#C[C@H]1C[C@H](O)[C@H](O)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile?
The InChIKey is DDJVJQRSCLEAKX-LJYZBVLISA-N. The full InChI is InChI=1S/C26H25NO3/c27-17-19-16-24(28)25(29)23(19)18-30-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23-25,28-29H,16,18H2/t19-,23+,24+,25-/m1/s1.
What are the key properties of (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile?
(1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile has a molecular weight of 399.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4S)-3,4-dihydroxy-2-(trityloxymethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 53349932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).