N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine

C36H43NO7 — CID 102364077

IUPACN-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine
SMILESCOC(OC)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(COCc1ccccc1)NO
InChIInChI=1S/C36H43NO7/c1-39-36(40-2)35(44-26-31-21-13-6-14-22-31)34(43-25-30-19-11-5-12-20-30)33(42-24-29-17-9-4-10-18-29)32(37-38)27-41-23-28-15-7-3-8-16-28/h3-22,32-38H,23-27H2,1-2H3/t32?,33-,34+,35-/m1/s1
InChIKeyISANZYQBWJMUCS-SJPDHMOLSA-N
MW601.74 g/mol
LogP5.93
Rot. Bonds20

About N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine

N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine (PubChem CID 102364077) has the molecular formula C36H43NO7 and a molecular weight of 601.74 g/mol. Its IUPAC name is N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine
PubChem CID102364077
Molecular FormulaC36H43NO7
Molecular Weight601.74 g/mol
Exact Mass601.30
IUPAC NameN-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine
SMILESCOC(OC)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(COCc1ccccc1)NO
InChIInChI=1S/C36H43NO7/c1-39-36(40-2)35(44-26-31-21-13-6-14-22-31)34(43-25-30-19-11-5-12-20-30)33(42-24-29-17-9-4-10-18-29)32(37-38)27-41-23-28-15-7-3-8-16-28/h3-22,32-38H,23-27H2,1-2H3/t32?,33-,34+,35-/m1/s1
InChIKeyISANZYQBWJMUCS-SJPDHMOLSA-N
XLogP5.93
TPSA87.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.74
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine with MolForge

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Related Compounds

(3S,4R,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-one
CID 10531373
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
[3-methoxy-1-[2-methyl-1,3-bis(phenylmethoxy)propyl]-2-phenylmethoxyhex-5-enoxy]methylbenzene
CID 166897060
methyl (2R,3R,4S,5R)-2,3-dihydroxy-5-(4-methoxyanilino)-4,6-bis(phenylmethoxy)hexanoate
CID 11677658
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
[(2R,3R,4R,5S,6S)-6-acetyloxy-1,3,4,5-tetrakis(phenylmethoxy)oct-7-en-2-yl] acetate
CID 24857975

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine?
The IUPAC name of N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine (CID 102364077) is N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine.
What is the SMILES notation for N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine?
The canonical SMILES for N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine is COC(OC)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(COCc1ccccc1)NO.
What is the InChIKey of N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine?
The InChIKey is ISANZYQBWJMUCS-SJPDHMOLSA-N. The full InChI is InChI=1S/C36H43NO7/c1-39-36(40-2)35(44-26-31-21-13-6-14-22-31)34(43-25-30-19-11-5-12-20-30)33(42-24-29-17-9-4-10-18-29)32(37-38)27-41-23-28-15-7-3-8-16-28/h3-22,32-38H,23-27H2,1-2H3/t32?,33-,34+,35-/m1/s1.
What are the key properties of N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine?
N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine has a molecular weight of 601.74 g/mol, XLogP of 5.93, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-6,6-dimethoxy-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-yl]hydroxylamine is sourced from PubChem (CID 102364077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).