(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide

C37H43NO8 — CID 25135765

IUPAC(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESO=C(NC(CO)CO)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C37H43NO8/c39-21-32(22-40)38-37(42)36(46-26-31-19-11-4-12-20-31)35(45-25-30-17-9-3-10-18-30)34(44-24-29-15-7-2-8-16-29)33(41)27-43-23-28-13-5-1-6-14-28/h1-20,32-36,39-41H,21-27H2,(H,38,42)/t33-,34-,35+,36-/m1/s1
InChIKeyVYCRHNQRJPMHEH-PEDCNLCOSA-N
MW629.75 g/mol
LogP3.79
Rot. Bonds20

About (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide

(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (PubChem CID 25135765) has the molecular formula C37H43NO8 and a molecular weight of 629.75 g/mol. Its IUPAC name is (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
PubChem CID25135765
Molecular FormulaC37H43NO8
Molecular Weight629.75 g/mol
Exact Mass629.30
IUPAC Name(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESO=C(NC(CO)CO)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C37H43NO8/c39-21-32(22-40)38-37(42)36(46-26-31-19-11-4-12-20-31)35(45-25-30-17-9-3-10-18-30)34(44-24-29-15-7-2-8-16-29)33(41)27-43-23-28-13-5-1-6-14-28/h1-20,32-36,39-41H,21-27H2,(H,38,42)/t33-,34-,35+,36-/m1/s1
InChIKeyVYCRHNQRJPMHEH-PEDCNLCOSA-N
XLogP3.79
TPSA126.71 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.75
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4S,5R)-5-hydroxy-N-(2-hydroxyethyl)-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135652
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3S,4R,5R)-5-hydroxy-N-[(2R)-2-hydroxypropyl]-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135653
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(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,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The IUPAC name of (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (CID 25135765) is (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The canonical SMILES for (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is O=C(NC(CO)CO)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The InChIKey is VYCRHNQRJPMHEH-PEDCNLCOSA-N. The full InChI is InChI=1S/C37H43NO8/c39-21-32(22-40)38-37(42)36(46-26-31-19-11-4-12-20-31)35(45-25-30-17-9-3-10-18-30)34(44-24-29-15-7-2-8-16-29)33(41)27-43-23-28-13-5-1-6-14-28/h1-20,32-36,39-41H,21-27H2,(H,38,42)/t33-,34-,35+,36-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide has a molecular weight of 629.75 g/mol, XLogP of 3.79, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is sourced from PubChem (CID 25135765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).