4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde

C22H40FN3O5Si2 — CID 131709880

IUPAC4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C=O)c([15NH2])[15n]c2=O)[C@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40FN3O5Si2/c1-21(2,3)32(7,8)29-13-15-17(31-33(9,10)22(4,5)6)16(23)19(30-15)26-11-14(12-27)18(24)25-20(26)28/h11-12,15-17,19H,13H2,1-10H3,(H2,24,25,28)/t15-,16-,17-,19-/m1/s1/i24+1,25+1
InChIKeyQWPVTMQVHDTTIT-UGFBGVTNSA-N
MW503.73 g/mol
LogP4.29
Rot. Bonds7

About 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde

4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde (PubChem CID 131709880) has the molecular formula C22H40FN3O5Si2 and a molecular weight of 503.73 g/mol. Its IUPAC name is 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde
PubChem CID131709880
Molecular FormulaC22H40FN3O5Si2
Molecular Weight503.73 g/mol
Exact Mass503.24
IUPAC Name4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C=O)c([15NH2])[15n]c2=O)[C@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40FN3O5Si2/c1-21(2,3)32(7,8)29-13-15-17(31-33(9,10)22(4,5)6)16(23)19(30-15)26-11-14(12-27)18(24)25-20(26)28/h11-12,15-17,19H,13H2,1-10H3,(H2,24,25,28)/t15-,16-,17-,19-/m1/s1/i24+1,25+1
InChIKeyQWPVTMQVHDTTIT-UGFBGVTNSA-N
XLogP4.29
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.73
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde with MolForge

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Related Compounds

1-[(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 174010647
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2-oxopyrimidine-5-carbaldehyde
CID 137355465
4-amino-5-bromo-1-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 101170673
4-amino-5-but-1-enyl-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 91349371
1-[(2R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 169066976
1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 169173352
2-[1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]guanidine
CID 164756349
methyl 4-amino-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxopyrimidine-5-carboxylate
CID 170907869
1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 153295241
4-amino-5-[(E)-2-fluoroethenyl]-1-[3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 142274832
N-[1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]benzamide
CID 122232762
(2R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
CID 10983531

Frequently Asked Questions

What is the IUPAC name of 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde (CID 131709880) is 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C=O)c([15NH2])[15n]c2=O)[C@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde?
The InChIKey is QWPVTMQVHDTTIT-UGFBGVTNSA-N. The full InChI is InChI=1S/C22H40FN3O5Si2/c1-21(2,3)32(7,8)29-13-15-17(31-33(9,10)22(4,5)6)16(23)19(30-15)26-11-14(12-27)18(24)25-20(26)28/h11-12,15-17,19H,13H2,1-10H3,(H2,24,25,28)/t15-,16-,17-,19-/m1/s1/i24+1,25+1.
What are the key properties of 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde?
4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde has a molecular weight of 503.73 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 131709880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).