(3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane

C19H37N2O3P — CID 158007411

IUPAC(3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane
SMILESCCC1O[C@@H](C)C(/N=P/N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)CC)[C@@H](C)C2C)[C@@H]1C
InChIInChI=1S/C19H37N2O3P/c1-8-10(3)17-11(4)12(5)19(23-17)24-18-13(6)15(9-2)22-14(7)16(18)21-25-20/h10-19H,8-9H2,1-7H3,(H2,20,21)/t10-,11+,12?,13-,14+,15?,16?,17+,18+,19+/m1/s1
InChIKeyFELRLFPNQZKBMP-CKKUPWAUSA-N
MW372.49 g/mol
LogP4.62
Rot. Bonds6

About (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane

(3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane (PubChem CID 158007411) has the molecular formula C19H37N2O3P and a molecular weight of 372.49 g/mol. Its IUPAC name is (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane.

Molecular Properties

Compound Name(3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane
PubChem CID158007411
Molecular FormulaC19H37N2O3P
Molecular Weight372.49 g/mol
Exact Mass372.25
IUPAC Name(3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane
SMILESCCC1O[C@@H](C)C(/N=P/N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)CC)[C@@H](C)C2C)[C@@H]1C
InChIInChI=1S/C19H37N2O3P/c1-8-10(3)17-11(4)12(5)19(23-17)24-18-13(6)15(9-2)22-14(7)16(18)21-25-20/h10-19H,8-9H2,1-7H3,(H2,20,21)/t10-,11+,12?,13-,14+,15?,16?,17+,18+,19+/m1/s1
InChIKeyFELRLFPNQZKBMP-CKKUPWAUSA-N
XLogP4.62
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane with MolForge

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Related Compounds

(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
(3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane
CID 158856498
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
[(4S,5S)-3-[(2R,5S)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-6-[(2S)-butan-2-yl]-4,5-dimethyloxan-2-yl] 2,2,2-trifluoro-N-phenylethanimidate
CID 90352364
[(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
(2S,4R,5R)-5-[(2R,4S,5R)-4-[(2R,5S)-3-[(2R,3R,5S)-3-azido-6-ethyl-4,5-dimethyloxan-2-yl]oxy-6-[(2S)-butan-2-yl]-4,5-dimethyloxan-2-yl]oxy-6-[(2S)-butan-2-yl]-3,5-dimethyloxan-2-yl]oxy-6-[(4R)-1,3-dioxolan-4-yl]-2,4-dimethyloxan-2-ol
CID 148859477
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
CID 122599287
(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
(3S,4R)-4-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 59101140
(3S,4S,6S)-6-[(3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 91414509
(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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane?
The IUPAC name of (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane (CID 158007411) is (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane.
What is the SMILES notation for (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane?
The canonical SMILES for (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane is CCC1O[C@@H](C)C(/N=P/N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)CC)[C@@H](C)C2C)[C@@H]1C.
What is the InChIKey of (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane?
The InChIKey is FELRLFPNQZKBMP-CKKUPWAUSA-N. The full InChI is InChI=1S/C19H37N2O3P/c1-8-10(3)17-11(4)12(5)19(23-17)24-18-13(6)15(9-2)22-14(7)16(18)21-25-20/h10-19H,8-9H2,1-7H3,(H2,20,21)/t10-,11+,12?,13-,14+,15?,16?,17+,18+,19+/m1/s1.
What are the key properties of (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane?
(3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane has a molecular weight of 372.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S)-5-(aminophosphanylideneamino)-4-[(2S,4S,5S)-5-[(2R)-butan-2-yl]-3,4-dimethyloxolan-2-yl]oxy-2-ethyl-3,6-dimethyloxane is sourced from PubChem (CID 158007411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).