[(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid

C16H33IN3O9P — CID 174001479

IUPAC[(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid
SMILESCC(C)OC[C@H]1O[C@@H](NI)C(O)C1NP(=O)(O)OC[C@H]1O[C@@H](N)C(O)C1OC(C)C
InChIInChI=1S/C16H33IN3O9P/c1-7(2)25-5-9-11(12(21)16(19-17)29-9)20-30(23,24)26-6-10-14(27-8(3)4)13(22)15(18)28-10/h7-16,19,21-22H,5-6,18H2,1-4H3,(H2,20,23,24)/t9-,10-,11?,12?,13?,14?,15-,16-/m1/s1
InChIKeyDJSPOSDCHIMNCI-RYMMSQQZSA-N
MW569.33 g/mol
LogP-0.65
Rot. Bonds11

About [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid

[(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid (PubChem CID 174001479) has the molecular formula C16H33IN3O9P and a molecular weight of 569.33 g/mol. Its IUPAC name is [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid.

Molecular Properties

Compound Name[(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid
PubChem CID174001479
Molecular FormulaC16H33IN3O9P
Molecular Weight569.33 g/mol
Exact Mass569.10
IUPAC Name[(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid
SMILESCC(C)OC[C@H]1O[C@@H](NI)C(O)C1NP(=O)(O)OC[C@H]1O[C@@H](N)C(O)C1OC(C)C
InChIInChI=1S/C16H33IN3O9P/c1-7(2)25-5-9-11(12(21)16(19-17)29-9)20-30(23,24)26-6-10-14(27-8(3)4)13(22)15(18)28-10/h7-16,19,21-22H,5-6,18H2,1-4H3,(H2,20,23,24)/t9-,10-,11?,12?,13?,14?,15-,16-/m1/s1
InChIKeyDJSPOSDCHIMNCI-RYMMSQQZSA-N
XLogP-0.65
TPSA173.99 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid?
The IUPAC name of [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid (CID 174001479) is [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid.
What is the SMILES notation for [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid?
The canonical SMILES for [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid is CC(C)OC[C@H]1O[C@@H](NI)C(O)C1NP(=O)(O)OC[C@H]1O[C@@H](N)C(O)C1OC(C)C.
What is the InChIKey of [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid?
The InChIKey is DJSPOSDCHIMNCI-RYMMSQQZSA-N. The full InChI is InChI=1S/C16H33IN3O9P/c1-7(2)25-5-9-11(12(21)16(19-17)29-9)20-30(23,24)26-6-10-14(27-8(3)4)13(22)15(18)28-10/h7-16,19,21-22H,5-6,18H2,1-4H3,(H2,20,23,24)/t9-,10-,11?,12?,13?,14?,15-,16-/m1/s1.
What are the key properties of [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid?
[(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid has a molecular weight of 569.33 g/mol, XLogP of -0.65, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-amino-4-hydroxy-3-propan-2-yloxyoxolan-2-yl]methoxy-N-[(2S,5R)-4-hydroxy-5-(iodoamino)-2-(propan-2-yloxymethyl)oxolan-3-yl]phosphonamidic acid is sourced from PubChem (CID 174001479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).