(3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C17H31N2O12P — CID 166012234

About (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 166012234) has the molecular formula C17H31N2O12P and a molecular weight of 486.41 g/mol. Its IUPAC name is (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 166012234
• Molecular Formula: C17H31N2O12P
• Molecular Weight: 486.41 g/mol
• Exact Mass: 486.16
• IUPAC Name: (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: C=C[C@@H](O)[C@H](COC1OC(CO)[C@@H](OC2OC(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O)/N=P/N
• InChI: InChI=1S/C17H31N2O12P/c1-2-7(22)6(19-32-18)5-28-16-14(27)12(25)15(9(4-21)30-16)31-17-13(26)11(24)10(23)8(3-20)29-17/h2,6-17,20-27H,1,3-5H2,(H2,18,19)/t6-,7+,8?,9?,10-,11-,12+,13-,14-,15+,16?,17?/m0/s1
• InChIKey: LKLWGNVXKRSCFY-UABBUWTHSA-N
• XLogP: -4.45
• TPSA: 237.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	486.41
LogP ≤ 5	-4.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 166012234) is (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is C=C[C@@H](O)[C@H](COC1OC(CO)[C@@H](OC2OC(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O)/N=P/N.

What is the InChIKey of (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is LKLWGNVXKRSCFY-UABBUWTHSA-N. The full InChI is InChI=1S/C17H31N2O12P/c1-2-7(22)6(19-32-18)5-28-16-14(27)12(25)15(9(4-21)30-16)31-17-13(26)11(24)10(23)8(3-20)29-17/h2,6-17,20-27H,1,3-5H2,(H2,18,19)/t6-,7+,8?,9?,10-,11-,12+,13-,14-,15+,16?,17?/m0/s1.

What are the key properties of (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 486.41 g/mol, XLogP of -4.45, 10 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S,5R)-2-[(3S,4R,5S)-6-[(2S,3R)-2-(aminophosphanylideneamino)-3-hydroxypent-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 166012234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).