[(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium

C27H50N4O5P2+2 — CID 70985196

IUPAC[(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium
SMILESCCC1O[C@@H](O[C@@H]2C(CC)O[C@@H](C)C(N=[P+]=N)[C@H]2C)C(N=[P+]=N)C(C)[C@@H]1O[C@@H]1OC(CC)[C@@H](C)[C@H](C)C1C
InChIInChI=1S/C27H50N4O5P2/c1-10-19-14(5)13(4)15(6)26(33-19)35-25-17(8)23(31-38-29)27(34-21(25)12-3)36-24-16(7)22(30-37-28)18(9)32-20(24)11-2/h13-29H,10-12H2,1-9H3/q+2/t13-,14-,15?,16+,17?,18-,19?,20?,21?,22?,23?,24-,25-,26-,27-/m0/s1
InChIKeyPHBAEMCOVHVNDX-UUMJZYALSA-N
MW572.67 g/mol
LogP7.93
Rot. Bonds9

About [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium

[(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium (PubChem CID 70985196) has the molecular formula C27H50N4O5P2+2 and a molecular weight of 572.67 g/mol. Its IUPAC name is [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium.

Molecular Properties

Compound Name[(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium
PubChem CID70985196
Molecular FormulaC27H50N4O5P2+2
Molecular Weight572.67 g/mol
Exact Mass572.32
IUPAC Name[(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium
SMILESCCC1O[C@@H](O[C@@H]2C(CC)O[C@@H](C)C(N=[P+]=N)[C@H]2C)C(N=[P+]=N)C(C)[C@@H]1O[C@@H]1OC(CC)[C@@H](C)[C@H](C)C1C
InChIInChI=1S/C27H50N4O5P2/c1-10-19-14(5)13(4)15(6)26(33-19)35-25-17(8)23(31-38-29)27(34-21(25)12-3)36-24-16(7)22(30-37-28)18(9)32-20(24)11-2/h13-29H,10-12H2,1-9H3/q+2/t13-,14-,15?,16+,17?,18-,19?,20?,21?,22?,23?,24-,25-,26-,27-/m0/s1
InChIKeyPHBAEMCOVHVNDX-UUMJZYALSA-N
XLogP7.93
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305
1-[(3R,5S,6R)-3-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-2-yl]ethanone
CID 162174979
(3S,4R,6S)-2-ethyl-3-[(2R,4R,5S)-6-[[(4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-5-methoxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 71047600
(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044769
(2S,4R,5R)-6-ethyl-2-[(3S,6R)-2-ethyl-6-[(3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(3S,6R)-2-ethyl-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyloxan-3-ol
CID 59044690
(3S,4R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 59101140
CID 160658563
CID 160658563
(2S,3R,4S,5R,6R)-2-tert-butyl-6-ethyl-3,4-bis[[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy]-5-methyloxane
CID 134169133
N-[(2R,4R,5S)-6-ethyl-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-[(2S,4S,5R)-2-[(3S,4R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-6-(methoxymethyl)-3,5-dimethyloxan-4-yl]oxy-4-methyloxan-3-yl]acetamide
CID 90352132
(3S,4S,6S)-6-[(3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 91414509

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium?
The IUPAC name of [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium (CID 70985196) is [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium.
What is the SMILES notation for [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium?
The canonical SMILES for [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium is CCC1O[C@@H](O[C@@H]2C(CC)O[C@@H](C)C(N=[P+]=N)[C@H]2C)C(N=[P+]=N)C(C)[C@@H]1O[C@@H]1OC(CC)[C@@H](C)[C@H](C)C1C.
What is the InChIKey of [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium?
The InChIKey is PHBAEMCOVHVNDX-UUMJZYALSA-N. The full InChI is InChI=1S/C27H50N4O5P2/c1-10-19-14(5)13(4)15(6)26(33-19)35-25-17(8)23(31-38-29)27(34-21(25)12-3)36-24-16(7)22(30-37-28)18(9)32-20(24)11-2/h13-29H,10-12H2,1-9H3/q+2/t13-,14-,15?,16+,17?,18-,19?,20?,21?,22?,23?,24-,25-,26-,27-/m0/s1.
What are the key properties of [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium?
[(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium has a molecular weight of 572.67 g/mol, XLogP of 7.93, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5S)-6-ethyl-5-[(2S,5S)-6-ethyl-5-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3-(iminophosphaniumylideneamino)-4-methyloxan-2-yl]oxy-2,4-dimethyloxan-3-yl]imino-iminophosphanium is sourced from PubChem (CID 70985196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).