(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol

C27H31N3O5 — CID 102034824

IUPAC(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
SMILES[N-]=[N+]=N[C@@H](CO)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C27H31N3O5/c28-30-29-24(16-31)26(34-18-22-12-6-2-7-13-22)27(35-19-23-14-8-3-9-15-23)25(32)20-33-17-21-10-4-1-5-11-21/h1-15,24-27,31-32H,16-20H2/t24-,25+,26+,27-/m0/s1
InChIKeyYCYIZAAMYDQQMK-YAOOYPAMSA-N
MW477.56 g/mol
LogP4.41
Rot. Bonds15

About (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol

(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol (PubChem CID 102034824) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
PubChem CID102034824
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
SMILES[N-]=[N+]=N[C@@H](CO)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C27H31N3O5/c28-30-29-24(16-31)26(34-18-22-12-6-2-7-13-22)27(35-19-23-14-8-3-9-15-23)25(32)20-33-17-21-10-4-1-5-11-21/h1-15,24-27,31-32H,16-20H2/t24-,25+,26+,27-/m0/s1
InChIKeyYCYIZAAMYDQQMK-YAOOYPAMSA-N
XLogP4.41
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

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Related Compounds

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
(2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol
CID 11111085
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol?
The IUPAC name of (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol (CID 102034824) is (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol is [N-]=[N+]=N[C@@H](CO)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol?
The InChIKey is YCYIZAAMYDQQMK-YAOOYPAMSA-N. The full InChI is InChI=1S/C27H31N3O5/c28-30-29-24(16-31)26(34-18-22-12-6-2-7-13-22)27(35-19-23-14-8-3-9-15-23)25(32)20-33-17-21-10-4-1-5-11-21/h1-15,24-27,31-32H,16-20H2/t24-,25+,26+,27-/m0/s1.
What are the key properties of (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol?
(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol has a molecular weight of 477.56 g/mol, XLogP of 4.41, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol is sourced from PubChem (CID 102034824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).