(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol

C14H21NO6 — CID 24774769

IUPAC(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol
SMILESCOc1ccc(/C=N/C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C14H21NO6/c1-21-10-4-2-9(3-5-10)6-15-7-11(17)13(19)14(20)12(18)8-16/h2-6,11-14,16-20H,7-8H2,1H3/b15-6+/t11-,12+,13+,14+/m0/s1
InChIKeyPABRKKYPTAXXRD-BPLGBZRBSA-N
MW299.32 g/mol
LogP-1.45
Rot. Bonds8

About (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol (PubChem CID 24774769) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol
PubChem CID24774769
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol
SMILESCOc1ccc(/C=N/C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C14H21NO6/c1-21-10-4-2-9(3-5-10)6-15-7-11(17)13(19)14(20)12(18)8-16/h2-6,11-14,16-20H,7-8H2,1H3/b15-6+/t11-,12+,13+,14+/m0/s1
InChIKeyPABRKKYPTAXXRD-BPLGBZRBSA-N
XLogP-1.45
TPSA122.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 5-1.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol
CID 53381828
(2S,3S,4R,5S)-3,4,5,6-tetrahydroxy-2-[(4-methoxyphenyl)methylideneamino]hexanal
CID 125473879
3,4,5,6-tetrahydroxy-2-[(4-methoxyphenyl)methylideneamino]hexanal
CID 19817378
(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide
CID 139626521
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol
CID 3055484
1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
(2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol
CID 135823139
propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
CID 14076273
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide
CID 76686566

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol (CID 24774769) is (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol is COc1ccc(/C=N/C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol?
The InChIKey is PABRKKYPTAXXRD-BPLGBZRBSA-N. The full InChI is InChI=1S/C14H21NO6/c1-21-10-4-2-9(3-5-10)6-15-7-11(17)13(19)14(20)12(18)8-16/h2-6,11-14,16-20H,7-8H2,1H3/b15-6+/t11-,12+,13+,14+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol has a molecular weight of 299.32 g/mol, XLogP of -1.45, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 24774769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).