9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate

C38H40N4O7 — CID 23248650

IUPAC9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate
SMILES[N-]=[N+]=NC[C@H]1O[C@H](OCCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C38H40N4O7/c39-42-41-22-33-35(46-23-26-12-3-1-4-13-26)36(47-24-27-14-5-2-6-15-27)34(43)37(49-33)45-21-11-20-40-38(44)48-25-32-30-18-9-7-16-28(30)29-17-8-10-19-31(29)32/h1-10,12-19,32-37,43H,11,20-25H2,(H,40,44)/t33-,34+,35-,36-,37+/m1/s1
InChIKeyUAWPFVYWVDNSMJ-ORIAJCIFSA-N
MW664.76 g/mol
LogP6.50
Rot. Bonds15

About 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate (PubChem CID 23248650) has the molecular formula C38H40N4O7 and a molecular weight of 664.76 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate
PubChem CID23248650
Molecular FormulaC38H40N4O7
Molecular Weight664.76 g/mol
Exact Mass664.29
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate
SMILES[N-]=[N+]=NC[C@H]1O[C@H](OCCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C38H40N4O7/c39-42-41-22-33-35(46-23-26-12-3-1-4-13-26)36(47-24-27-14-5-2-6-15-27)34(43)37(49-33)45-21-11-20-40-38(44)48-25-32-30-18-9-7-16-28(30)29-17-8-10-19-31(29)32/h1-10,12-19,32-37,43H,11,20-25H2,(H,40,44)/t33-,34+,35-,36-,37+/m1/s1
InChIKeyUAWPFVYWVDNSMJ-ORIAJCIFSA-N
XLogP6.50
TPSA144.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate with MolForge

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Related Compounds

(2S,3S,4S,5R,6R)-6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 118290191
[(2S,4S,5S)-6-[[(2S,4S,5S)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]-4,5-dimethyloxan-3-yl] benzoate
CID 58536869
2-(azidomethyl)-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 22088767
1-O-[[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]oxan-2-yl]methyl] 4-O-benzyl butanedioate
CID 23245311
benzyl N-[3-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropyl]carbamate
CID 11378127
benzyl N-[6-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]carbamate
CID 10558128
[(2R,3R,4R,5R)-5-azido-2-(azidomethyl)-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl] 9H-fluoren-9-ylmethyl carbonate
CID 101423298
[(2R,3R,4S,5R,6R)-6-(azidomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 46894843
(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75409974
9H-fluoren-9-ylmethyl N-[3-[(3-fluorophenyl)methoxy]propyl]carbamate
CID 166735627
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
[(3R,4S,6S)-5-benzoyloxy-6-[(2R,3R,6S)-4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-[3-(phenylmethoxycarbonylamino)propoxy]oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl benzoate
CID 59921539

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate (CID 23248650) is 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate is [N-]=[N+]=NC[C@H]1O[C@H](OCCCNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate?
The InChIKey is UAWPFVYWVDNSMJ-ORIAJCIFSA-N. The full InChI is InChI=1S/C38H40N4O7/c39-42-41-22-33-35(46-23-26-12-3-1-4-13-26)36(47-24-27-14-5-2-6-15-27)34(43)37(49-33)45-21-11-20-40-38(44)48-25-32-30-18-9-7-16-28(30)29-17-8-10-19-31(29)32/h1-10,12-19,32-37,43H,11,20-25H2,(H,40,44)/t33-,34+,35-,36-,37+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate has a molecular weight of 664.76 g/mol, XLogP of 6.50, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[(2S,3S,4R,5R,6R)-6-(azidomethyl)-3-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]oxypropyl]carbamate is sourced from PubChem (CID 23248650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).